ACH-0145071

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22FN5O4
Molecular Weight	427.4289
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](O)C1=NN(CC(=O)N2C[C@H](F)C[C@H]2C(O)=O)C3=C1C=C(C=C3)C4=CN=C(C)N=C4

InChI

InChIKey=NYLREVJUQISCGE-POHZPAGDSA-N

InChI=1S/C21H22FN5O4/c1-11(28)20-16-5-13(14-7-23-12(2)24-8-14)3-4-17(16)27(25-20)10-19(29)26-9-15(22)6-18(26)21(30)31/h3-5,7-8,11,15,18,28H,6,9-10H2,1-2H3,(H,30,31)/t11-,15+,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H22FN5O4
Molecular Weight	427.4289
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:17:21 GMT 2025` Edited by `admin` on `Wed Apr 02 20:17:21 GMT 2025`
Record UNII	7FZJ276QY7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACH-0145071

Code

English

Danicopan metabolite M428

Preferred Name

English

L-Proline, 4-fluoro-1-[2-[3-[(1S)-1-hydroxyethyl]-5-(2-methyl-5-pyrimidinyl)-1H-indazol-1-yl]acetyl]-, (4R)-

Systematic Name

English

(2S,4R)-4-fluoro-1-[2-[3-[(1S)-1-hydroxyethyl]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

7FZJ276QY7

Created by admin on Wed Apr 02 20:17:21 GMT 2025 , Edited by admin on Wed Apr 02 20:17:21 GMT 2025

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CAS

2087967-29-9

Created by admin on Wed Apr 02 20:17:21 GMT 2025 , Edited by admin on Wed Apr 02 20:17:21 GMT 2025

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PUBCHEM

135149108

Created by admin on Wed Apr 02 20:17:21 GMT 2025 , Edited by admin on Wed Apr 02 20:17:21 GMT 2025

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