N,N-dimethyl-5-[4-(piperidin-1-yl)butanoyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 368925
• Molecular Formular: C18H29N5O2
• Molecular Mass: 347.45516
• Monoisotopic Mass: 347.23212519
• SMILES: c1(c2c([nH]n1)CCN(C2)C(=O)CCCN1CCCCC1)C(=O)N(C)C
• Canonical SMILES: O=C(N1CCc2c(C1)c(n[nH]2)C(=O)N(C)C)CCCN1CCCCC1
• InChI: InChI=1S/C18H29N5O2/c1-21(2)18(25)17-14-13-23(12-8-15(14)19-20-17)16(24)7-6-11-22-9-4-3-5-10-22/h3-13H2,1-2H3,(H,19,20)
• InChIKey: XICKEHDZQYFFQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-[4-(piperidin-1-yl)butanoyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N,N-dimethyl-5-[4-(piperidin-1-yl)butanoyl]-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N,N-dimethyl-5-[4-(1-piperidinyl)butanoyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.365855
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.2245214
• LogD (pH = 7.4): -1.8540264
• Log P: -0.13241334
• Molar Refractivity: 99.382 cm^3
• Polarizability: 37.053036 Å^3
• Polar Surface Area: 72.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.64
• LOG S: -2.5
• Polar Surface Area: 72.54 Å^2
• Rotatable Bonds: 5