U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H33N5O2.ClH
Molecular Weight 472.023
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[2-(6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(morpholin-4-yl)propionamide hydrochloride, (S)-

SMILES

Cl.C[C@H](N1CCOCC1)C(=O)N(C)C2=CC3=C(C=C(N3)C4=NNC5=C4CCC(C)(C)C5)C=C2

InChI

InChIKey=NVSBDCUOTNYBEV-NTISSMGPSA-N
InChI=1S/C25H33N5O2.ClH/c1-16(30-9-11-32-12-10-30)24(31)29(4)18-6-5-17-13-21(26-20(17)14-18)23-19-7-8-25(2,3)15-22(19)27-28-23;/h5-6,13-14,16,26H,7-12,15H2,1-4H3,(H,27,28);1H/t16-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C25H33N5O2
Molecular Weight 435.5618
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 21:19:21 GMT 2025
Edited
by admin
on Tue Apr 01 21:19:21 GMT 2025
Record UNII
K1OV7QMX0K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-N-[2-(6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(morpholin-4-yl)propionamide hydrochloride
Preferred Name English
N-[2-(6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]-N-methyl-2-(morpholin-4-yl)propionamide hydrochloride, (S)-
Systematic Name English
4-Morpholineacetamide, N,?-dimethyl-N-[2-(4,5,6,7-tetrahydro-6,6-dimethyl-1H-indazol-3-yl)-1H-indol-6-yl]-, hydrochloride (1:1), (?S)-
Systematic Name English
Code System Code Type Description
CAS
1309784-13-1
Created by admin on Tue Apr 01 21:19:21 GMT 2025 , Edited by admin on Tue Apr 01 21:19:21 GMT 2025
PRIMARY
FDA UNII
K1OV7QMX0K
Created by admin on Tue Apr 01 21:19:21 GMT 2025 , Edited by admin on Tue Apr 01 21:19:21 GMT 2025
PRIMARY
PUBCHEM
136359922
Created by admin on Tue Apr 01 21:19:21 GMT 2025 , Edited by admin on Tue Apr 01 21:19:21 GMT 2025
PRIMARY