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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H26N6O3
Molecular Weight 494.5444
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-(1-Acryloylpiperidin-3-yl)-10-(4-phenoxyphenyl)-3,4-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one, (R)-

SMILES

C=CC(=O)N1CCC[C@H](C1)N2N=C(C3=C2N=CN4CCC(=O)N=C34)C5=CC=C(OC6=CC=CC=C6)C=C5

InChI

InChIKey=FSCNEJORXHNHBP-HXUWFJFHSA-N
InChI=1S/C28H26N6O3/c1-2-24(36)32-15-6-7-20(17-32)34-27-25(28-30-23(35)14-16-33(28)18-29-27)26(31-34)19-10-12-22(13-11-19)37-21-8-4-3-5-9-21/h2-5,8-13,18,20H,1,6-7,14-17H2/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H26N6O3
Molecular Weight 494.5444
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 Sat Dec 16 19:36:37 GMT 2023
Edited
by admin
on Sat Dec 16 19:36:37 GMT 2023
Record UNII
UXD75R7JVS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-(1-Acryloylpiperidin-3-yl)-10-(4-phenoxyphenyl)-3,4-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one, (R)-
Systematic Name English
3,4-Dihydro-8-[(3R)-1-(1-oxo-2-propen-1-yl)-3-piperidinyl]-10-(4-phenoxyphenyl)pyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one
Systematic Name English
(R)-8-(1-Acryloylpiperidin-3-yl)-10-(4-phenoxyphenyl)-3,4-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one
Systematic Name English
Pyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one, 3,4-dihydro-8-[(3R)-1-(1-oxo-2-propen-1-yl)-3-piperidinyl]-10-(4-phenoxyphenyl)-
Systematic Name English
Code System Code Type Description
CAS
1917333-91-5
Created by admin on Sat Dec 16 19:36:37 GMT 2023 , Edited by admin on Sat Dec 16 19:36:37 GMT 2023
PRIMARY
FDA UNII
UXD75R7JVS
Created by admin on Sat Dec 16 19:36:37 GMT 2023 , Edited by admin on Sat Dec 16 19:36:37 GMT 2023
PRIMARY
PUBCHEM
121314196
Created by admin on Sat Dec 16 19:36:37 GMT 2023 , Edited by admin on Sat Dec 16 19:36:37 GMT 2023
PRIMARY