Edecesertib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22FN7O2
Molecular Weight	435.4542
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](NC1=CC(=NC=C1C(=O)NC[C@@H](F)C(C)(C)O)C2=CC=C3C=C(C=NN23)C#N)C#N

InChI

InChIKey=HORBHQPSWJRDSV-ZUOKHONESA-N

InChI=1S/C22H22FN7O2/c1-13(8-24)29-17-7-18(19-5-4-15-6-14(9-25)10-28-30(15)19)26-11-16(17)21(31)27-12-20(23)22(2,3)32/h4-7,10-11,13,20,32H,12H2,1-3H3,(H,26,29)(H,27,31)/t13-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H22FN7O2
Molecular Weight	435.4542
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:38:54 GMT 2023` Edited by `admin` on `Sat Dec 16 15:38:54 GMT 2023`
Record UNII	3NUJ7N1277
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Edecesertib

Official Name

English

edecesertib [INN]

Common Name

English

3-Pyridinecarboxamide, 4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-

Systematic Name

English

4-{[(1R)-1-cyanoethyl]amino}-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3- methylbutyl]pyridine-3-carboxamide

Systematic Name

English

Code System Code Type Description

FDA UNII

3NUJ7N1277