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87628-41-9 | 1H-Pyrazolo[4,3-c]pyridine, 5-benzoyl-4,5,6,7-tetrahydro-3-phenyl-
CAS No: 87628-41-9 Catalog No: AG004HVW MDL No:
Product Description
Catalog Number:
AG004HVW
Chemical Name:
1H-Pyrazolo[4,3-c]pyridine, 5-benzoyl-4,5,6,7-tetrahydro-3-phenyl-
CAS Number:
87628-41-9
Molecular Formula:
C19H17N3O
Molecular Weight:
303.3578
IUPAC Name:
phenyl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
InChI:
InChI=1S/C19H17N3O/c23-19(15-9-5-2-6-10-15)22-12-11-17-16(13-22)18(21-20-17)14-7-3-1-4-8-14/h1-10H,11-13H2,(H,20,21)
InChI Key:
VQPSVOMXZUUYFV-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)c(n[nH]2)c1ccccc1)c1ccccc1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.365g/mol
Monoisotopic Mass:
303.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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