N-methyl-5-[(1-propyl-1H-imidazol-2-yl)methyl]-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 389691
• Molecular Formular: C15H22N6O
• Molecular Mass: 302.37478
• Monoisotopic Mass: 302.18550935
• SMILES: c1(c2c(n[nH]1)CCN(C2)Cc1n(ccn1)CCC)C(=O)NC
• Canonical SMILES: CCCn1ccnc1CN1CCc2c(C1)c([nH]n2)C(=O)NC
• InChI: InChI=1S/C15H22N6O/c1-3-6-21-8-5-17-13(21)10-20-7-4-12-11(9-20)14(19-18-12)15(22)16-2/h5,8H,3-4,6-7,9-10H2,1-2H3,(H,16,22)(H,18,19)
• InChIKey: ANSAPCACNBIPMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-[(1-propyl-1H-imidazol-2-yl)methyl]-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-methyl-5-[(1-propylimidazol-2-yl)methyl]-2H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-methyl-5-[(1-propyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.396105
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.55244434
• LogD (pH = 7.4): 0.039289996
• Log P: 0.065031946
• Molar Refractivity: 85.9362 cm^3
• Polarizability: 31.769133 Å^3
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.71
• LOG S: -2.11
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 5