Mocaciclib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H36FN9O2
Molecular Weight	609.6964
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=C2N=C(NC[C@H]3CCNC[C@@H]3O)N=C(NCC4=C(C=CC=C4)C5=NC=CC6=CC(NC(=O)C(F)=C)=CC=C56)N2N=C1

InChI

InChIKey=PDKSTEKFCWNJFC-LXFBAYGMSA-N

InChI=1S/C33H36FN9O2/c1-19(2)27-17-39-43-30(27)41-32(37-16-23-10-12-35-18-28(23)44)42-33(43)38-15-22-6-4-5-7-25(22)29-26-9-8-24(40-31(45)20(3)34)14-21(26)11-13-36-29/h4-9,11,13-14,17,19,23,28,35,44H,3,10,12,15-16,18H2,1-2H3,(H,40,45)(H2,37,38,41,42)/t23-,28+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Mocaciclib

Official Name

English

CDK7-IN-21

Preferred Name

English

2-Fluoro-N-[1-[2-[[[2-[[[(3R,4R)-3-hydroxy-4-piperidinyl]methyl]amino]-8-(1-methylethyl)pyrazolo[1,5-a]-1,3,5-triazin-4-yl]amino]methyl]phenyl]-6-isoquinolinyl]-2-propenamide

Systematic Name

English

mocaciclib [INN]

Common Name

English

2-Propenamide, 2-fluoro-N-[1-[2-[[[2-[[[(3R,4R)-3-hydroxy-4-piperidinyl]methyl]amino]-8-(1-methylethyl)pyrazolo[1,5-a]-1,3,5-triazin-4-yl]amino]methyl]phenyl]-6-isoquinolinyl]-

Systematic Name

English

Code System Code Type Description

CAS

2766124-39-2