4-{3-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-1-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine

• ChemBase ID: 819781
• Molecular Formular: C17H23N7
• Molecular Mass: 325.41142
• Monoisotopic Mass: 325.20149377
• SMILES: c12c(N3Cc4c([nH]nc4CC)CC3)nc(nc1n(nc2)C)CCC
• Canonical SMILES: CCCc1nc(N2CCc3c(C2)c(CC)n[nH]3)c2c(n1)n(C)nc2
• InChI: InChI=1S/C17H23N7/c1-4-6-15-19-16-11(9-18-23(16)3)17(20-15)24-8-7-14-12(10-24)13(5-2)21-22-14/h9H,4-8,10H2,1-3H3,(H,21,22)
• InChIKey: FUCGXFXBFAVZSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-1-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine
• IUPAC Traditional name: 4-{3-ethyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-1-methyl-6-propylpyrazolo[3,4-d]pyrimidine
• Synonyms: 4-(3-ethyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-1-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.786204
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.740813
• LogD (pH = 7.4): 2.8322885
• Log P: 2.833585
• Molar Refractivity: 107.3163 cm^3
• Polarizability: 35.255825 Å^3
• Polar Surface Area: 75.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.4
• LOG S: -2.77
• Polar Surface Area: 75.52 Å^2
• Rotatable Bonds: 4