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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H21F4N5O3
Molecular Weight 479.4275
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIRTOBRUTINIB

SMILES

COC1=C(C=C(F)C=C1)C(=O)NCC2=CC=C(C=C2)C3=NN([C@@H](C)C(F)(F)F)C(N)=C3C(N)=O

InChI

InChIKey=FWZAWAUZXYCBKZ-NSHDSACASA-N
InChI=1S/C22H21F4N5O3/c1-11(22(24,25)26)31-19(27)17(20(28)32)18(30-31)13-5-3-12(4-6-13)10-29-21(33)15-9-14(23)7-8-16(15)34-2/h3-9,11H,10,27H2,1-2H3,(H2,28,32)(H,29,33)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H21F4N5O3
Molecular Weight 479.4275
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:17:43 UTC 2023
Edited
by admin
on Sat Dec 16 14:17:43 UTC 2023
Record UNII
JNA39I7ZVB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIRTOBRUTINIB
USAN   INN  
Official Name English
1H-PYRAZOLE-4-CARBOXAMIDE, 5-AMINO-3-(4-(((5-FLUORO-2-METHOXYBENZOYL)AMINO)METHYL)PHENYL)-1-((1S)-2,2,2-TRIFLUORO-1-METHYLETHYL)-
Systematic Name English
LY3527727
Code English
JAYPIRCA
Brand Name English
5-AMINO-3-(4-((5-FLUORO-2-METHOXYBENZAMIDO)METHYL)PHENYL)-1-((2S)-1,1,1-TRIFLUOROPROPAN-2-YL)-1H-PYRAZOLE-4-CARBOXAMIDE
Systematic Name English
LOXO-305
Code English
PIRTOBRUTINIB [JAN]
Common Name English
LY-3527727
Code English
(S)-5-AMINO-3-(4-((5-FLUORO-2-METHOXYBENZAMIDO)METHYL)PHENYL)-1-(1,1,1-TRIFLUOROPROPAN-2-YL)-1H-PYRAZOLE-4-CARBOXAMIDE
Systematic Name English
RXC-005
Code English
PIRTOBRUTINIB [USAN]
Common Name English
pirtobrutinib [INN]
Common Name English
Pirtobrutinib [WHO-DD]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 758120
Created by admin on Sat Dec 16 14:17:44 UTC 2023 , Edited by admin on Sat Dec 16 14:17:44 UTC 2023
FDA ORPHAN DRUG 763420
Created by admin on Sat Dec 16 14:17:44 UTC 2023 , Edited by admin on Sat Dec 16 14:17:44 UTC 2023
Code System Code Type Description
INN
11681
Created by admin on Sat Dec 16 14:17:44 UTC 2023 , Edited by admin on Sat Dec 16 14:17:44 UTC 2023
PRIMARY
FDA UNII
JNA39I7ZVB
Created by admin on Sat Dec 16 14:17:44 UTC 2023 , Edited by admin on Sat Dec 16 14:17:44 UTC 2023
PRIMARY
CAS
2101700-15-4
Created by admin on Sat Dec 16 14:17:44 UTC 2023 , Edited by admin on Sat Dec 16 14:17:44 UTC 2023
PRIMARY
SMS_ID
300000023191
Created by admin on Sat Dec 16 14:17:44 UTC 2023 , Edited by admin on Sat Dec 16 14:17:44 UTC 2023
PRIMARY
DAILYMED
JNA39I7ZVB
Created by admin on Sat Dec 16 14:17:44 UTC 2023 , Edited by admin on Sat Dec 16 14:17:44 UTC 2023
PRIMARY
NCI_THESAURUS
C158617
Created by admin on Sat Dec 16 14:17:44 UTC 2023 , Edited by admin on Sat Dec 16 14:17:44 UTC 2023
PRIMARY
USAN
HI-122
Created by admin on Sat Dec 16 14:17:44 UTC 2023 , Edited by admin on Sat Dec 16 14:17:44 UTC 2023
PRIMARY
PUBCHEM
129269915
Created by admin on Sat Dec 16 14:17:44 UTC 2023 , Edited by admin on Sat Dec 16 14:17:44 UTC 2023
PRIMARY
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