5-{3-cyclopentyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}-2-methoxy-4-methyl-1,3-thiazole

• ChemBase ID: 673154
• Molecular Formular: C17H22N4O2S
• Molecular Mass: 346.44718
• Monoisotopic Mass: 346.14634696
• SMILES: c1(C(=O)N2Cc3c(n[nH]c3CC2)C2CCCC2)c(nc(s1)OC)C
• Canonical SMILES: COc1nc(c(s1)C(=O)N1CCc2c(C1)c(n[nH]2)C1CCCC1)C
• InChI: InChI=1S/C17H22N4O2S/c1-10-15(24-17(18-10)23-2)16(22)21-8-7-13-12(9-21)14(20-19-13)11-5-3-4-6-11/h11H,3-9H2,1-2H3,(H,19,20)
• InChIKey: CQAFXRGCYSMRAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{3-cyclopentyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}-2-methoxy-4-methyl-1,3-thiazole
• IUPAC Traditional name: 5-{3-cyclopentyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}-2-methoxy-4-methyl-1,3-thiazole
• Synonyms: 3-cyclopentyl-5-[(2-methoxy-4-methyl-1,3-thiazol-5-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.372431
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2801368
• LogD (pH = 7.4): 2.2805629
• Log P: 2.2805684
• Molar Refractivity: 93.2405 cm^3
• Polarizability: 34.900024 Å^3
• Polar Surface Area: 71.11 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: 3.23
• LOG S: -4.48
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 3