1,1-Dimethylethyl 4-[3-cyano-4,5,6,7-tetrahydro-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-piperidinecarboxylate

Details

Stereochemistry	RACEMIC
Molecular Formula	C29H33N5O3
Molecular Weight	499.604
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,1-Dimethylethyl 4-[3-cyano-4,5,6,7-tetrahydro-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-piperidinecarboxylate

Structure Search

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2CCNC3=C(C#N)C(=NN23)C4=CC=C(OC5=CC=CC=C5)C=C4

InChI

InChIKey=CSUGEDMTNGZGBV-UHFFFAOYSA-N

InChI=1S/C29H33N5O3/c1-29(2,3)37-28(35)33-17-14-20(15-18-33)25-13-16-31-27-24(19-30)26(32-34(25)27)21-9-11-23(12-10-21)36-22-7-5-4-6-8-22/h4-12,20,25,31H,13-18H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C29H33N5O3
Molecular Weight	499.604
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:09:13 GMT 2023` Edited by `admin` on `Sat Dec 16 20:09:13 GMT 2023`
Record UNII	MXS5KNB2EE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1-Dimethylethyl 4-[3-cyano-4,5,6,7-tetrahydro-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-piperidinecarboxylate

Systematic Name

English

1-Piperidinecarboxylic acid, 4-[3-cyano-4,5,6,7-tetrahydro-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-, 1,1-dimethylethyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

MXS5KNB2EE

Created by admin on Sat Dec 16 20:09:13 GMT 2023 , Edited by admin on Sat Dec 16 20:09:13 GMT 2023

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PUBCHEM

137305774

Created by admin on Sat Dec 16 20:09:13 GMT 2023 , Edited by admin on Sat Dec 16 20:09:13 GMT 2023

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CAS

2190506-56-8

Created by admin on Sat Dec 16 20:09:13 GMT 2023 , Edited by admin on Sat Dec 16 20:09:13 GMT 2023

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