6-{2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}-5,6,7,8-tetrahydro-1,6-naphthyridine

• ChemBase ID: 639920
• Molecular Formular: C17H19N5
• Molecular Mass: 293.36626
• Monoisotopic Mass: 293.16404563
• SMILES: n12c(c(c(n2)C)C)nc(cc1N1Cc2c(CC1)nccc2)C
• Canonical SMILES: Cc1cc(N2CCc3c(C2)cccn3)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C17H19N5/c1-11-9-16(22-17(19-11)12(2)13(3)20-22)21-8-6-15-14(10-21)5-4-7-18-15/h4-5,7,9H,6,8,10H2,1-3H3
• InChIKey: WBKTYBGQYCMCLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}-5,6,7,8-tetrahydro-1,6-naphthyridine
• IUPAC Traditional name: 6-{2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}-7,8-dihydro-5H-1,6-naphthyridine
• Synonyms: 6-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0412307
• LogD (pH = 7.4): 2.2004826
• Log P: 2.202982
• Molar Refractivity: 96.8672 cm^3
• Polarizability: 32.21553 Å^3
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.22
• LOG S: -1.94
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 1