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Details

Stereochemistry MIXED
Molecular Formula C30H29N7O3
Molecular Weight 535.5964
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Resencatinib

SMILES

COC1=NC=C(CN2C3CC2CN(C3)C4=NC=C(C=C4)C5=CC(OC[C@](C)(O)C#C)=CN6N=CC(C#N)=C56)C=C1

InChI

InChIKey=WNPSOODWDSNATA-DPHZAUTASA-N
InChI=1S/C30H29N7O3/c1-4-30(2,38)19-40-25-10-26(29-22(11-31)14-34-37(29)18-25)21-6-7-27(32-13-21)35-16-23-9-24(17-35)36(23)15-20-5-8-28(39-3)33-12-20/h1,5-8,10,12-14,18,23-24,38H,9,15-17,19H2,2-3H3/t23?,24?,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H29N7O3
Molecular Weight 535.5964
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jul 07 00:58:42 UTC 2023
Edited
by admin
on Fri Jul 07 00:58:42 UTC 2023
Record UNII
VW69FG2AYB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Resencatinib
INN  
Official Name English
Pyrazolo[1,5-a]pyridine-3-carbonitrile, 6-[[(2R)-2-hydroxy-2-methyl-3-butyn-1-yl]oxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]hept-3-yl]-3-pyridinyl]-
Systematic Name English
6-{[(2R)-2-hydroxy-2-methylbut-3-yn-1-yl]oxy}-4-(6-{6- [(6-methoxypyridin-3-yl)methyl]-3,6- diazabicyclo[3.1.1]heptan-3-yl}pyridin-3- yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
Systematic Name English
6-[[(2R)-2-Hydroxy-2-methyl-3-butyn-1-yl]oxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]hept-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
Systematic Name English
resencatinib [INN]
Common Name English
Code System Code Type Description
NCI_THESAURUS
C199102
Created by admin on Fri Jul 07 00:58:42 UTC 2023 , Edited by admin on Fri Jul 07 00:58:42 UTC 2023
PRIMARY
FDA UNII
VW69FG2AYB
Created by admin on Fri Jul 07 00:58:42 UTC 2023 , Edited by admin on Fri Jul 07 00:58:42 UTC 2023
PRIMARY
CAS
2546117-79-5
Created by admin on Fri Jul 07 00:58:42 UTC 2023 , Edited by admin on Fri Jul 07 00:58:42 UTC 2023
PRIMARY
PUBCHEM
155296110
Created by admin on Fri Jul 07 00:58:42 UTC 2023 , Edited by admin on Fri Jul 07 00:58:42 UTC 2023
PRIMARY
INN
12455
Created by admin on Fri Jul 07 00:58:42 UTC 2023 , Edited by admin on Fri Jul 07 00:58:42 UTC 2023
PRIMARY