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

• ChemBase ID: 780086
• Molecular Formular: C18H23N5O3
• Molecular Mass: 357.40692
• Monoisotopic Mass: 357.18008962
• SMILES: c1(c2c([nH]n1)CCN(C2)C)C(=O)NC1CCN(C(=O)c2occc2)CC1
• Canonical SMILES: CN1CCc2c(C1)c(n[nH]2)C(=O)NC1CCN(CC1)C(=O)c1ccco1
• InChI: InChI=1S/C18H23N5O3/c1-22-7-6-14-13(11-22)16(21-20-14)17(24)19-12-4-8-23(9-5-12)18(25)15-3-2-10-26-15/h2-3,10,12H,4-9,11H2,1H3,(H,19,24)(H,20,21)
• InChIKey: RPCAFQXOLODHFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.01411
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.069393
• LogD (pH = 7.4): -0.6200779
• Log P: -0.5132165
• Molar Refractivity: 97.9724 cm^3
• Polarizability: 35.910637 Å^3
• Polar Surface Area: 94.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.04
• LOG S: -2.23
• Polar Surface Area: 94.47 Å^2
• Rotatable Bonds: 3