U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H29FN6O4
Molecular Weight 484.5233
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BMS-644950

SMILES

CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)C3=NC=NN3C

InChI

InChIKey=QAMJBKXUQQOLPQ-AQRBRUGDSA-N
InChI=1S/C24H29FN6O4/c1-14(2)21-19(10-9-17(32)11-18(33)12-20(34)35)22(15-5-7-16(25)8-6-15)29-23(28-21)30(3)24-26-13-27-31(24)4/h5-10,13-14,17-18,32-33H,11-12H2,1-4H3,(H,34,35)/b10-9+/t17-,18-/m1/s1

HIDE SMILES / InChI

Approval Year

Patents
Name Type Language
(E,3R,5S)-7-(4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(METHYL-(2-METHYL-1,2,4-TRIAZOL-3-YL)AMINO)PYRIMIDIN-5-YL)-3,5-DIHYDROXY-HEPT-6-ENOIC ACID
Preferred Name English
BMS-644950
Common Name English
6-HEPTENOIC ACID, 7-(4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-(METHYL(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)AMINO)-5-PYRIMIDINYL)-3,5-DIHYDROXY-, (3R,5S,6E)-
Systematic Name English
Code System Code Type Description
CAS
849470-12-8
Created by admin on Tue Apr 01 16:30:56 GMT 2025 , Edited by admin on Tue Apr 01 16:30:56 GMT 2025
PRIMARY
FDA UNII
ZBX3PZ7A0F
Created by admin on Tue Apr 01 16:30:56 GMT 2025 , Edited by admin on Tue Apr 01 16:30:56 GMT 2025
PRIMARY
PUBCHEM
24809501
Created by admin on Tue Apr 01 16:30:56 GMT 2025 , Edited by admin on Tue Apr 01 16:30:56 GMT 2025
PRIMARY