Fidrisertib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H42N6O4
Molecular Weight	562.703
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC1(CCN(CC1)C(C)C)C2=CN=C(C=C2)C3=CN4N=CC=C(N5CCN(CC5)C(=O)O[C@@H]6CCOC6)C4=C3

InChI

InChIKey=SWVYYNLRVIYURK-AREMUKBSSA-N

InChI=1S/C31H42N6O4/c1-4-40-31(9-12-34(13-10-31)23(2)3)25-5-6-27(32-20-25)24-19-29-28(7-11-33-37(29)21-24)35-14-16-36(17-15-35)30(38)41-26-8-18-39-22-26/h5-7,11,19-21,23,26H,4,8-10,12-18,22H2,1-3H3/t26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H42N6O4
Molecular Weight	562.703
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 `Sat Dec 16 15:07:57 GMT 2023` Edited by `admin` on `Sat Dec 16 15:07:57 GMT 2023`
Record UNII	KF4ZI0CJ7M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Fidrisertib

Official Name

English

BLU-782

Code

English

(R)-Tetrahydrofuran-3-yl 4-{6-[5-(4-ethoxy-1-isopropylpiperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl}piperazine-1-carboxylate (Source: ChemDraw)

Systematic Name

English

FIDRISERTIB [USAN]

Common Name

English

fidrisertib [INN]

Common Name

English

1-Piperazinecarboxylic acid, 4-[6-[5-[4-ethoxy-1-(1-methylethyl)-4-piperidinyl]-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]-, (3R)-tetrahydro-3-furanyl ester

Systematic Name

English

IPN-60130

Code

English

IPN60130

Code

English

Code System Code Type Description

CAS

2141955-96-4