KSQ-4279

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H25F3N8O
Molecular Weight	534.5356
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=NC=NC(C2CC2)=C1C3=NC4=C(C=NN4CC5=CC=C(C=C5)C6=NC(=CN6C(C)C)C(F)(F)F)C=N3

InChI

InChIKey=KCBWAFJCKVKYHO-UHFFFAOYSA-N

InChI=1S/C27H25F3N8O/c1-15(2)37-13-20(27(28,29)30)35-24(37)18-6-4-16(5-7-18)12-38-25-19(11-34-38)10-31-23(36-25)21-22(17-8-9-17)32-14-33-26(21)39-3/h4-7,10-11,13-15,17H,8-9,12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C27H25F3N8O
Molecular Weight	534.5356
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 10:06:24 GMT 2025` Edited by `admin` on `Wed Apr 02 10:06:24 GMT 2025`
Record UNII	HK5F3RGM8P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KSQ-4279

Code

English

1H-PYRAZOLO(3,4-D)PYRIMIDINE, 6-(4-CYCLOPROPYL-6-METHOXY-5-PYRIMIDINYL)-1-((4-(1-(1-METHYLETHYL)-4-(TRIFLUOROMETHYL)-1H-IMIDAZOL-2-YL)PHENYL)METHYL)-

Preferred Name

English

Code System Code Type Description

FDA UNII

HK5F3RGM8P