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

• ChemBase ID: 846127
• Molecular Formular: C17H26N4OS
• Molecular Mass: 334.47954
• Monoisotopic Mass: 334.18273247
• SMILES: c12c(nn(c1CCN(C2)C1CCSC1)C)C(=O)NC1CCCC1
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)C1CCSC1)C)NC1CCCC1
• InChI: InChI=1S/C17H26N4OS/c1-20-15-6-8-21(13-7-9-23-11-13)10-14(15)16(19-20)17(22)18-12-4-2-3-5-12/h12-13H,2-11H2,1H3,(H,18,22)
• InChIKey: JSTBPIFBOMBVSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.227814
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5312233
• LogD (pH = 7.4): 1.1320771
• Log P: 1.5253524
• Molar Refractivity: 106.5596 cm^3
• Polarizability: 36.163273 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.34
• LOG S: -4.51
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3