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

• ChemBase ID: 460068
• Molecular Formular: C19H26N4OS
• Molecular Mass: 358.50094
• Monoisotopic Mass: 358.18273247
• SMILES: c1(c2c([nH]n1)CCN(C2)Cc1sc(cc1)C1CCCC1)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1n[nH]c2c1CN(CC2)Cc1ccc(s1)C1CCCC1)C
• InChI: InChI=1S/C19H26N4OS/c1-22(2)19(24)18-15-12-23(10-9-16(15)20-21-18)11-14-7-8-17(25-14)13-5-3-4-6-13/h7-8,13H,3-6,9-12H2,1-2H3,(H,20,21)
• InChIKey: CGRWCHOTKWEOAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.943424
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3763666
• LogD (pH = 7.4): 2.862139
• Log P: 3.074072
• Molar Refractivity: 103.0396 cm^3
• Polarizability: 38.393497 Å^3
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.25
• LOG S: -2.88
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 4