N,5,7-trimethyl-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 563320
• Molecular Formular: C19H18N6O2
• Molecular Mass: 362.38522
• Monoisotopic Mass: 362.14912385
• SMILES: c12n(nc(c1)C(=O)N(Cc1[nH]c(=O)c3c(n1)cccc3)C)c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)n2c(n1)cc(n2)C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C
• InChI: InChI=1S/C19H18N6O2/c1-11-8-12(2)25-17(20-11)9-15(23-25)19(27)24(3)10-16-21-14-7-5-4-6-13(14)18(26)22-16/h4-9H,10H2,1-3H3,(H,21,22,26)
• InChIKey: KGPZOBMXSMGFNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5,7-trimethyl-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N,5,7-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: N,5,7-trimethyl-N-[(4-oxo-3,4-dihydro-2-quinazolinyl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.648677
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1421798
• LogD (pH = 7.4): 1.1403883
• Log P: 1.1425164
• Molar Refractivity: 112.8454 cm^3
• Polarizability: 36.725937 Å^3
• Polar Surface Area: 91.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.08
• LOG S: -3.22
• Polar Surface Area: 96.25 Å^2
• Rotatable Bonds: 3