H3B-6545

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H29F4N5O2.ClH
Molecular Weight	604.038
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CN(C)C(=O)\C=C\CNCCOC1=NC=C(C=C1)C(=C(\CC(F)(F)F)C2=CC=CC=C2)\C3=CC=C4NN=C(F)C4=C3

InChI

InChIKey=KNSVJVMDHBDKJL-XVBKFJSKSA-N

InChI=1S/C30H29F4N5O2.ClH/c1-39(2)27(40)9-6-14-35-15-16-41-26-13-11-22(19-36-26)28(21-10-12-25-23(17-21)29(31)38-37-25)24(18-30(32,33)34)20-7-4-3-5-8-20;/h3-13,17,19,35H,14-16,18H2,1-2H3,(H,37,38);1H/b9-6+,28-24-;

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C30H29F4N5O2
Molecular Weight	567.5772
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 21:31:02 GMT 2025` Edited by `admin` on `Tue Apr 01 21:31:02 GMT 2025`
Record UNII	62GM7VW6AO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

H3B-6545

Code

English

H3B 6545 [WHO-DD]

Preferred Name

English

2-BUTENAMIDE, N,N-DIMETHYL-4-((2-((5-((1Z)-4,4,4-TRIFLUORO-1-(3-FLUORO-1H-INDAZOL-5-YL)-2-PHENYL-1-BUTEN-1-YL)-2-PYRIDINYL)OXY)ETHYL)AMINO)-, HYDROCHLORIDE (1:1), (2E)-

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C142980

Created by admin on Tue Apr 01 21:31:02 GMT 2025 , Edited by admin on Tue Apr 01 21:31:02 GMT 2025

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FDA UNII

62GM7VW6AO

Created by admin on Tue Apr 01 21:31:02 GMT 2025 , Edited by admin on Tue Apr 01 21:31:02 GMT 2025

PRIMARY

CAS

2052132-51-9

Created by admin on Tue Apr 01 21:31:02 GMT 2025 , Edited by admin on Tue Apr 01 21:31:02 GMT 2025

PRIMARY

PUBCHEM

124091099

Created by admin on Tue Apr 01 21:31:02 GMT 2025 , Edited by admin on Tue Apr 01 21:31:02 GMT 2025

PRIMARY

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