7-amino-4-(3-methyl-1-propyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydro-1,8-naphthyridin-2-one

• ChemBase ID: 619726
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: c1(C2c3c(NC(=O)C2)nc(cc3)N)c(nn(c1)CCC)C
• Canonical SMILES: CCCn1nc(c(c1)C1CC(=O)Nc2c1ccc(n2)N)C
• InChI: InChI=1S/C15H19N5O/c1-3-6-20-8-12(9(2)19-20)11-7-14(21)18-15-10(11)4-5-13(16)17-15/h4-5,8,11H,3,6-7H2,1-2H3,(H3,16,17,18,21)
• InChIKey: WMIONSHPKGXYAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-amino-4-(3-methyl-1-propyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydro-1,8-naphthyridin-2-one
• IUPAC Traditional name: 7-amino-4-(3-methyl-1-propylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
• Synonyms: 7-amino-4-(3-methyl-1-propyl-1H-pyrazol-4-yl)-3,4-dihydro-1,8-naphthyridin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.934027
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1726509
• LogD (pH = 7.4): 1.5116173
• Log P: 1.5183191
• Molar Refractivity: 94.7675 cm^3
• Polarizability: 30.178282 Å^3
• Polar Surface Area: 85.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.6
• LOG S: -2.65
• Polar Surface Area: 85.83 Å^2
• Rotatable Bonds: 3