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

Details

Stereochemistry MIXED
Molecular Formula C31H37N5O6
Molecular Weight 575.6554
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 1-(4-methoxyphenyl)-3a-morpholino-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

SMILES

CCOC(=O)C1=NN(C2=CC=C(OC)C=C2)C3(C1CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)N6CCOCC6

InChI

InChIKey=JQSLHGPCCDOOJM-UHFFFAOYSA-N
InChI=1S/C31H37N5O6/c1-3-42-29(38)28-26-15-17-35(23-9-7-22(8-10-23)34-16-5-4-6-27(34)37)30(39)31(26,33-18-20-41-21-19-33)36(32-28)24-11-13-25(40-2)14-12-24/h7-14,26H,3-6,15-21H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C31H37N5O6
Molecular Weight 575.6554
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:11:29 GMT 2023
Edited
by admin
on Sat Dec 16 20:11:29 GMT 2023
Record UNII
3U5XMC2GP4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 1-(4-methoxyphenyl)-3a-morpholino-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
Systematic Name English
Ethyl 3a,4,5,6,7,7a-hexahydro-1-(4-methoxyphenyl)-7a-(4-morpholinyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
Systematic Name English
1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid, 3a,4,5,6,7,7a-hexahydro-1-(4-methoxyphenyl)-7a-(4-morpholinyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-, ethyl este
Systematic Name English
Code System Code Type Description
CAS
1619934-76-7
Created by admin on Sat Dec 16 20:11:29 GMT 2023 , Edited by admin on Sat Dec 16 20:11:29 GMT 2023
PRIMARY
FDA UNII
3U5XMC2GP4
Created by admin on Sat Dec 16 20:11:29 GMT 2023 , Edited by admin on Sat Dec 16 20:11:29 GMT 2023
PRIMARY
PUBCHEM
78037038
Created by admin on Sat Dec 16 20:11:29 GMT 2023 , Edited by admin on Sat Dec 16 20:11:29 GMT 2023
PRIMARY