3-{3-[5-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-(piperidine-1-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-1-yl]propyl}pyridine

• ChemBase ID: 575286
• Molecular Formular: C26H33N7O2
• Molecular Mass: 475.58592
• Monoisotopic Mass: 475.26957333
• SMILES: c1(c2c(n(n1)CCCc1cnccc1)CCN(C(=O)c1n(nc(c1)C)C)C2)C(=O)N1CCCCC1
• Canonical SMILES: Cc1nn(c(c1)C(=O)N1CCc2c(C1)c(nn2CCCc1cccnc1)C(=O)N1CCCCC1)C
• InChI: InChI=1S/C26H33N7O2/c1-19-16-23(30(2)28-19)25(34)32-15-10-22-21(18-32)24(26(35)31-12-4-3-5-13-31)29-33(22)14-7-9-20-8-6-11-27-17-20/h6,8,11,16-17H,3-5,7,9-10,12-15,18H2,1-2H3
• InChIKey: ZYDKSRTYDYRSOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{3-[5-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-(piperidine-1-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-1-yl]propyl}pyridine
• IUPAC Traditional name: 3-{3-[5-(2,5-dimethylpyrazole-3-carbonyl)-3-(piperidine-1-carbonyl)-4H,6H,7H-pyrazolo[4,3-c]pyridin-1-yl]propyl}pyridine
• Synonyms: 5-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-3-(1-piperidinylcarbonyl)-1-[3-(3-pyridinyl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1276373
• LogD (pH = 7.4): 1.4027297
• Log P: 1.4082304
• Molar Refractivity: 157.5692 cm^3
• Polarizability: 50.103756 Å^3
• Polar Surface Area: 89.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.01
• LOG S: -6.25
• Polar Surface Area: 89.15 Å^2
• Rotatable Bonds: 6