Benzoic acid, 4-hydroxy-, compd. with (7S)-4,5,6,7-tetrahydro-7-[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (1:1)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H29N5O3.C7H6O3
Molecular Weight	609.6716
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Benzoic acid, 4-hydroxy-, compd. with (7S)-4,5,6,7-tetrahydro-7-[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (1:1)

Structure Search

SMILES

OC(=O)C1=CC=C(O)C=C1.NC(=O)C2=C3NCC[C@@H](C4CCN(CC4)C(=O)C=C)N3N=C2C5=CC=C(OC6=CC=CC=C6)C=C5

InChI

InChIKey=OBJHBBOMCXVQHT-FTBISJDPSA-N

InChI=1S/C27H29N5O3.C7H6O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20;8-6-3-1-5(2-4-6)7(9)10/h2-11,18,22,29H,1,12-17H2,(H2,28,34);1-4,8H,(H,9,10)/t22-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C27H29N5O3
Molecular Weight	471.5509
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C7H6O3
Molecular Weight	138.1207
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 19:44:57 GMT 2025` Edited by `admin` on `Wed Apr 02 19:44:57 GMT 2025`
Record UNII	HC8C5AM58R
Record Status	`Validated (UNII)`
Record Version

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Type

Language

Benzoic acid, 4-hydroxy-, compd. with (7S)-4,5,6,7-tetrahydro-7-[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (1:1)

Preferred Name

English

Code System Code Type Description

PUBCHEM

171390192

Created by admin on Wed Apr 02 19:44:57 GMT 2025 , Edited by admin on Wed Apr 02 19:44:57 GMT 2025

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CAS

2757114-31-9

Created by admin on Wed Apr 02 19:44:57 GMT 2025 , Edited by admin on Wed Apr 02 19:44:57 GMT 2025

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FDA UNII

HC8C5AM58R

Created by admin on Wed Apr 02 19:44:57 GMT 2025 , Edited by admin on Wed Apr 02 19:44:57 GMT 2025

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