Frespaciguat

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H22ClF5N6O3
Molecular Weight	608.947
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]1(C(=O)NC2=C1C(N)=NC(=N2)C3=NN(CCC(F)(F)C(F)(F)F)C4=C3C=CC(Cl)=C4)C5=CC=C(CCC(O)=O)C=C5

InChI

InChIKey=BAFUFNSAYGCZIC-VWLOTQADSA-N

InChI=1S/C27H22ClF5N6O3/c1-25(14-5-2-13(3-6-14)4-9-18(40)41)19-21(34)35-23(36-22(19)37-24(25)42)20-16-8-7-15(28)12-17(16)39(38-20)11-10-26(29,30)27(31,32)33/h2-3,5-8,12H,4,9-11H2,1H3,(H,40,41)(H3,34,35,36,37,42)/t25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H22ClF5N6O3
Molecular Weight	608.947
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:15:44 GMT 2025` Edited by `admin` on `Wed Apr 02 06:15:44 GMT 2025`
Record UNII	6DXN080KGB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Frespaciguat

Official Name

English

MK5475

Preferred Name

English

3-{4-[(5S)-4-amino-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)-1H-indazol-3-yl]-5-methyl-6-oxo-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl}propanoic acid

Systematic Name

English

FRESPACIGUAT [USAN]

Common Name

English

frespaciguat [INN]

Common Name

English

Code System Code Type Description

CAS

2101645-33-2