U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C29H35N5O4
Molecular Weight 517.6193
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl 4-[3-carbamoyl-2-(4-phenoxyphenyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate

SMILES

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

InChI

InChIKey=HAHIDLAHHBZYHZ-UHFFFAOYSA-N
InChI=1S/C29H35N5O4/c1-29(2,3)38-28(36)33-17-14-19(15-18-33)23-13-16-31-27-24(26(30)35)25(32-34(23)27)20-9-11-22(12-10-20)37-21-7-5-4-6-8-21/h4-12,19,23,31H,13-18H2,1-3H3,(H2,30,35)

HIDE SMILES / InChI

Molecular Formula C29H35N5O4
Molecular Weight 517.6193
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 20:01:15 GMT 2023
Edited
by admin
on Sat Dec 16 20:01:15 GMT 2023
Record UNII
PNF3XEA9TH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
tert-Butyl 4-[3-carbamoyl-2-(4-phenoxyphenyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
Systematic Name English
1,1-Dimethylethyl 4-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-piperidinecarboxylate
Systematic Name English
7-[1-(tert-Butoxycarbonyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Systematic Name English
1-Piperidinecarboxylic acid, 4-[3-(aminocarbonyl)-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
PNF3XEA9TH
Created by admin on Sat Dec 16 20:01:15 GMT 2023 , Edited by admin on Sat Dec 16 20:01:15 GMT 2023
PRIMARY
CAS
1633350-03-4
Created by admin on Sat Dec 16 20:01:15 GMT 2023 , Edited by admin on Sat Dec 16 20:01:15 GMT 2023
PRIMARY
PUBCHEM
136983686
Created by admin on Sat Dec 16 20:01:15 GMT 2023 , Edited by admin on Sat Dec 16 20:01:15 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY