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Details

Stereochemistry ACHIRAL
Molecular Formula C27H30F2N8
Molecular Weight 504.5775
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-(1-CYCLOPROPYL-4-FLUORO-2-METHYL-1H-BENZO(D)IMIDAZOL-6-YL)-5-FLUOROPYRIMIDIN-2-YL)-6-(2-(DIMETHYLAMINO)ETHYL)-5,6,7,8-TETRAHYDRO-L,6-NAPHTHYRIDIN-2-AMINE

SMILES

CN(C)CCN1CCC2=C(C1)C=CC(NC3=NC=C(F)C(=N3)C4=CC(F)=C5N=C(C)N(C6CC6)C5=C4)=N2

InChI

InChIKey=UZUCFTPPULEGQO-UHFFFAOYSA-N
InChI=1S/C27H30F2N8/c1-16-31-26-20(28)12-18(13-23(26)37(16)19-5-6-19)25-21(29)14-30-27(34-25)33-24-7-4-17-15-36(11-10-35(2)3)9-8-22(17)32-24/h4,7,12-14,19H,5-6,8-11,15H2,1-3H3,(H,30,32,33,34)

HIDE SMILES / InChI

Molecular Formula C27H30F2N8
Molecular Weight 504.5775
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:29:54 GMT 2023
Edited
by admin
on Sat Dec 16 18:29:54 GMT 2023
Record UNII
484EDA7KEM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-(1-CYCLOPROPYL-4-FLUORO-2-METHYL-1H-BENZO(D)IMIDAZOL-6-YL)-5-FLUOROPYRIMIDIN-2-YL)-6-(2-(DIMETHYLAMINO)ETHYL)-5,6,7,8-TETRAHYDRO-L,6-NAPHTHYRIDIN-2-AMINE
Systematic Name English
1,6-NAPHTHYRIDINE-6(5H)-ETHANAMINE, 2-((4-(1-CYCLOPROPYL-4-FLUORO-2-METHYL-1H-BENZIMIDAZOL-6-YL)-5-FLUORO-2-PYRIMIDINYL)AMINO)-7,8-DIHYDRO-N,N-DIMETHYL-
Common Name English
Code System Code Type Description
FDA UNII
484EDA7KEM
Created by admin on Sat Dec 16 18:29:54 GMT 2023 , Edited by admin on Sat Dec 16 18:29:54 GMT 2023
PRIMARY
PUBCHEM
130196740
Created by admin on Sat Dec 16 18:29:54 GMT 2023 , Edited by admin on Sat Dec 16 18:29:54 GMT 2023
PRIMARY
CAS
2102887-41-0
Created by admin on Sat Dec 16 18:29:54 GMT 2023 , Edited by admin on Sat Dec 16 18:29:54 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
Name Property Type Amount Referenced Substance Defining Parameters References
BRAIN/PLASMA RATIO PHARMACOKINETIC Species
BIOLOGICAL
Dose
PHARMACOKINETIC
Time after administration
PHARMACOKINETIC
BRAIN/PLASMA RATIO PHARMACOKINETIC Time after administration
PHARMACOKINETIC
Species
BIOLOGICAL
Dose
PHARMACOKINETIC
BRAIN/PLASMA RATIO PHARMACOKINETIC Dose
PHARMACOKINETIC
Time after administration
PHARMACOKINETIC
Species
BIOLOGICAL