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1221278-96-1 | 4H-Quinolizine-3-carboxylic acid, 1-[[5-(1-methyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-4-oxo-
CAS No: 1221278-96-1 Catalog No: AG0016T9 MDL No:
Product Description
Catalog Number:
AG0016T9
Chemical Name:
4H-Quinolizine-3-carboxylic acid, 1-[[5-(1-methyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-4-oxo-
CAS Number:
1221278-96-1
Molecular Formula:
C20H16N4O3
Molecular Weight:
360.3660
IUPAC Name:
1-[[5-(1-methylpyrazol-4-yl)pyridin-2-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
InChI:
InChI=1S/C20H16N4O3/c1-23-12-15(11-22-23)13-5-6-16(21-10-13)8-14-9-17(20(26)27)19(25)24-7-3-2-4-18(14)24/h2-7,9-12H,8H2,1H3,(H,26,27)
InChI Key:
BGGAMZSBCKEZQB-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)c1ccc(nc1)Cc1cc(C(=O)O)c(=O)n2c1cccc2
Properties
Complexity:
767
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.122g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.373g/mol
Monoisotopic Mass:
360.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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