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87948-64-9 | N-(6-METHYL-PYRIDIN-2-YL)-7-OXO-1-PHENYL-1,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE
CAS No: 87948-64-9 Catalog No: AG004EF7 MDL No:
Product Description
Catalog Number:
AG004EF7
Chemical Name:
N-(6-METHYL-PYRIDIN-2-YL)-7-OXO-1-PHENYL-1,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE
CAS Number:
87948-64-9
Molecular Formula:
C19H15N5O2
Molecular Weight:
345.3547
IUPAC Name:
N-(6-methylpyridin-2-yl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
InChI:
InChI=1S/C19H15N5O2/c1-13-6-5-9-16(21-13)22-18(25)15-12-20-17-10-11-23(24(17)19(15)26)14-7-3-2-4-8-14/h2-12H,1H3,(H,21,22,25)
InChI Key:
YHIDRCCEWDIRTB-UHFFFAOYSA-N
SMILES:
Cc1cccc(n1)NC(=O)c1cnc2n(c1=O)n(cc2)c1ccccc1
Properties
Complexity:
677
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.123g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.362g/mol
Monoisotopic Mass:
345.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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