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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H29FN6O2
Molecular Weight 524.5887
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GEMNELATINIB

SMILES

C[C@@H](N1C=C(C=C(F)C1=O)C2=CC(=CC=N2)C#N)C3=CC(=CC=C3)C4=NC=C(OCC5CCN(C)CC5)C=N4

InChI

InChIKey=UDDRTVZAZBIBBN-HXUWFJFHSA-N
InChI=1S/C30H29FN6O2/c1-20(37-18-25(14-27(31)30(37)38)28-12-22(15-32)6-9-33-28)23-4-3-5-24(13-23)29-34-16-26(17-35-29)39-19-21-7-10-36(2)11-8-21/h3-6,9,12-14,16-18,20-21H,7-8,10-11,19H2,1-2H3/t20-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GEMNELATINIB
INN  
Official Name English
5'-FLUORO-1',6'-DIHYDRO-1'-((1R)-1-(3-(5-((1-METHYL-4-PIPERIDINYL)METHOXY)-2-PYRIMIDINYL)PHENYL)ETHYL)-6'-OXO(2,3'-BIPYRIDINE)-4-CARBONITRILE
Systematic Name English
gemnelatinib [INN]
Common Name English
(2,3'-BIPYRIDINE)-4-CARBONITRILE, 5'-FLUORO-1',6'-DIHYDRO-1'-((1R)-1-(3-(5-((1-METHYL-4-PIPERIDINYL)METHOXY)-2-PYRIMIDINYL)PHENYL)ETHYL)-6'-OXO-(
Systematic Name English
Code System Code Type Description
FDA UNII
EFL78M2T2C
Created by admin on Sat Dec 16 18:27:51 GMT 2023 , Edited by admin on Sat Dec 16 18:27:51 GMT 2023
PRIMARY
NCI_THESAURUS
C184835
Created by admin on Sat Dec 16 18:27:51 GMT 2023 , Edited by admin on Sat Dec 16 18:27:51 GMT 2023
PRIMARY
INN
11818
Created by admin on Sat Dec 16 18:27:51 GMT 2023 , Edited by admin on Sat Dec 16 18:27:51 GMT 2023
PRIMARY
CAS
2225123-30-6
Created by admin on Sat Dec 16 18:27:51 GMT 2023 , Edited by admin on Sat Dec 16 18:27:51 GMT 2023
PRIMARY
SMS_ID
300000039114
Created by admin on Sat Dec 16 18:27:51 GMT 2023 , Edited by admin on Sat Dec 16 18:27:51 GMT 2023
PRIMARY
PUBCHEM
139407400
Created by admin on Sat Dec 16 18:27:51 GMT 2023 , Edited by admin on Sat Dec 16 18:27:51 GMT 2023
PRIMARY