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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30ClN5O3
Molecular Weight 508.012
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (7S)-7-[1-(3-Chloro-1-oxopropyl)-4-piperidinyl]-4,5,6,7-tetrahydro-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

SMILES

NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)CCCl)N2N=C1C4=CC=C(OC5=CC=CC=C5)C=C4

InChI

InChIKey=YAVZMBVVGZCZAE-QFIPXVFZSA-N
InChI=1S/C27H30ClN5O3/c28-14-10-23(34)32-16-12-18(13-17-32)22-11-15-30-27-24(26(29)35)25(31-33(22)27)19-6-8-21(9-7-19)36-20-4-2-1-3-5-20/h1-9,18,22,30H,10-17H2,(H2,29,35)/t22-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(7S)-7-[1-(3-Chloro-1-oxopropyl)-4-piperidinyl]-4,5,6,7-tetrahydro-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Preferred Name English
Code System Code Type Description
FDA UNII
5T3J4YE5BG
Created by admin on Wed Apr 02 19:28:34 GMT 2025 , Edited by admin on Wed Apr 02 19:28:34 GMT 2025
PRIMARY
CAS
1633351-79-7
Created by admin on Wed Apr 02 19:28:34 GMT 2025 , Edited by admin on Wed Apr 02 19:28:34 GMT 2025
PRIMARY
PUBCHEM
136983701
Created by admin on Wed Apr 02 19:28:34 GMT 2025 , Edited by admin on Wed Apr 02 19:28:34 GMT 2025
PRIMARY