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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H33N5O3
Molecular Weight 475.5826
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Methoxy-N-[2-[(1-methylpiperidin-4-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, (3R)-

SMILES

COC1=CC=C2CN[C@H](CC2=C1)C(=O)NC3=CC=C(C=C3OCC4CCN(C)CC4)C5=CNN=C5

InChI

InChIKey=GFWDPXHTWJXOEI-RUZDIDTESA-N
InChI=1S/C27H33N5O3/c1-32-9-7-18(8-10-32)17-35-26-13-19(22-15-29-30-16-22)4-6-24(26)31-27(33)25-12-21-11-23(34-2)5-3-20(21)14-28-25/h3-6,11,13,15-16,18,25,28H,7-10,12,14,17H2,1-2H3,(H,29,30)(H,31,33)/t25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H33N5O3
Molecular Weight 475.5826
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 18:40:58 GMT 2025
Edited
by admin
on Tue Apr 01 18:40:58 GMT 2025
Record UNII
6ZB24XC7HJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3R)-6-Methoxy-N-[2-[(1-methylpiperidin-4-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Preferred Name English
6-Methoxy-N-[2-[(1-methylpiperidin-4-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, (3R)-
Systematic Name English
(3R)-1,2,3,4-Tetrahydro-6-methoxy-N-[2-[(1-methyl-4-piperidinyl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3-isoquinolinecarboxamide
Systematic Name English
3-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-6-methoxy-N-[2-[(1-methyl-4-piperidinyl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-, (3R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
46864283
Created by admin on Tue Apr 01 18:40:58 GMT 2025 , Edited by admin on Tue Apr 01 18:40:58 GMT 2025
PRIMARY
FDA UNII
6ZB24XC7HJ
Created by admin on Tue Apr 01 18:40:58 GMT 2025 , Edited by admin on Tue Apr 01 18:40:58 GMT 2025
PRIMARY
CAS
1239902-67-0
Created by admin on Tue Apr 01 18:40:58 GMT 2025 , Edited by admin on Tue Apr 01 18:40:58 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR