EMPESERTIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H26FN5O4S
Molecular Weight	559.611
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=CC=C1NC2=NN3C=C(C=CC3=N2)C4=CC=C(NC(=O)[C@H](C)C5=CC=C(F)C=C5)C=C4)S(C)(=O)=O

InChI

InChIKey=NRJKIOCCERLIDG-GOSISDBHSA-N

InChI=1S/C29H26FN5O4S/c1-18(19-4-9-22(30)10-5-19)28(36)31-23-11-6-20(7-12-23)21-8-15-27-33-29(34-35(27)17-21)32-25-14-13-24(40(3,37)38)16-26(25)39-2/h4-18H,1-3H3,(H,31,36)(H,32,34)/t18-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

EMPESERTIB

Official Name

English

BAY1161909

Code

English

(2R)-2-(4-FLUOROPHENYL)-N-(4-(2-((2-METHOXY-4-(METHYLSULFONYL)PHENYL)AMINO)(1,2,4)TRIAZOLO(1,5-A)PYRIDIN-6-YL)PHENYL)PROPANAMIDE

Systematic Name

English

BENZENEACETAMIDE, 4-FLUORO-N-(4-(2-((2-METHOXY-4-(METHYLSULFONYL)PHENYL)AMINO)(1,2,4)TRIAZOLO(1,5-A)PYRIDIN-6-YL)PHENYL)-.ALPHA.-METHYL-, (.ALPHA.R)-

Systematic Name

English

MPS1-IN-5

Code

English

Empesertib [WHO-DD]

Common Name

English

empesertib [INN]

Common Name

English

(-)-BAY-1161909

Code

English

(.ALPHA.R)-4-FLUORO-N-(4-(2-((2-METHOXY-4-(METHYLSULFONYL)PHENYL)AMINO)(1,2,4)TRIAZOLO(1,5-A)PYRIDIN-6-YL)PHENYL)-.ALPHA.-METHYLBENZENEACETAMIDE

Systematic Name

English

(2R)-2-(4-FLUOROPHENYL)-N-(4-(2-((4-(METHANESULFONYL)-2-METHOXYPHENYL)AMINO)(1,2,4)TRIAZOLO(1,5-A)PYRIDIN-6-YL)PHENYL)PROPANAMIDE

Systematic Name

English

BAY-1161909

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C61074