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Home > Pyridines > 736990-65-1
736990-65-1 | 4H-Pyrrolo[3,2-c]pyridin-4-one,1,5,6,7-tetrahydro-(9CI)
CAS No: 736990-65-1 Catalog No: AG00FGGY MDL No:MFCD11506295
Product Description
Catalog Number:
AG00FGGY
Chemical Name:
4H-Pyrrolo[3,2-c]pyridin-4-one,1,5,6,7-tetrahydro-(9CI)
CAS Number:
736990-65-1
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD11506295
IUPAC Name:
1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
InChI:
InChI=1S/C7H8N2O/c10-7-5-1-3-8-6(5)2-4-9-7/h1,3,8H,2,4H2,(H,9,10)
InChI Key:
WOELPIAAQNOJDS-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1cc[nH]2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Three-dimensional quantitative structure-activity relationships of pyrrolopyridinone as cell division cycle kinase inhibitors by CoMFA and CoMSIA. | Journal of molecular modeling 20110801 |
| Cdc7 kinase inhibitors: pyrrolopyridinones as potential antitumor agents. 1. Synthesis and structure-activity relationships. | Journal of medicinal chemistry 20080214 |
| Constrained analogs of CB-1 antagonists: 1,5,6,7-Tetrahydro-4H-pyrrolo[3,2-c]pyridine-4-one derivatives. | Bioorganic & medicinal chemistry letters 20070201 |
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