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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H32ClF4N7O2
Molecular Weight 622.057
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, R

SHOW SMILES / InChI
Structure of Divarasib

SMILES

C[C@H]1CN(CCN1C2=NC(OC[C@@H]3CCCN3C)=NC4=C(F)C(=C(Cl)C=C24)C5=C(C(C)=CC(N)=N5)C(F)(F)F)C(=O)C=C

InChI

InChIKey=ZRBPIAWWRPFDPY-IRXDYDNUSA-N
InChI=1S/C29H32ClF4N7O2/c1-5-21(42)40-9-10-41(16(3)13-40)27-18-12-19(30)22(26-23(29(32,33)34)15(2)11-20(35)36-26)24(31)25(18)37-28(38-27)43-14-17-7-6-8-39(17)4/h5,11-12,16-17H,1,6-10,13-14H2,2-4H3,(H2,35,36)/t16-,17-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Divarasib
INN   USAN  
Official Name English
DIVARASIB [USAN]
Common Name English
RG-6330
Code English
RO-7435846
Code English
2-Propen-1-one, 1-[(3S)-4-[(7R)-7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]-4-quinazolinyl]-3-methyl-1-piperazinyl]-
Systematic Name English
RO7435846
Code English
RG6330
Code English
divarasib [INN]
Common Name English
GDC-6036
Code English
1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}prop-2-en-1-one
Systematic Name English
1-[(3S)-4-[(7R)-7-[6-Amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]-4-quinazolinyl]-3-methyl-1-piperazinyl]-2-propen-1-one
Code English
Code System Code Type Description
NCI_THESAURUS
C173995
Created by admin on Sat Dec 16 15:22:57 GMT 2023 , Edited by admin on Sat Dec 16 15:22:57 GMT 2023
PRIMARY
CAS
2417987-45-0
Created by admin on Sat Dec 16 15:22:57 GMT 2023 , Edited by admin on Sat Dec 16 15:22:57 GMT 2023
PRIMARY
PUBCHEM
146624881
Created by admin on Sat Dec 16 15:22:57 GMT 2023 , Edited by admin on Sat Dec 16 15:22:57 GMT 2023
PRIMARY
FDA UNII
E6S21PVT91
Created by admin on Sat Dec 16 15:22:57 GMT 2023 , Edited by admin on Sat Dec 16 15:22:57 GMT 2023
PRIMARY
INN
12016
Created by admin on Sat Dec 16 15:22:57 GMT 2023 , Edited by admin on Sat Dec 16 15:22:57 GMT 2023
PRIMARY
SMS_ID
300000013622
Created by admin on Sat Dec 16 15:22:57 GMT 2023 , Edited by admin on Sat Dec 16 15:22:57 GMT 2023
PRIMARY
USAN
LM-128
Created by admin on Sat Dec 16 15:22:57 GMT 2023 , Edited by admin on Sat Dec 16 15:22:57 GMT 2023
PRIMARY