2-[3-(cyclopentylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine

• ChemBase ID: 343672
• Molecular Formular: C20H24N6O
• Molecular Mass: 364.44416
• Monoisotopic Mass: 364.20115942
• SMILES: c12c(n[nH]c1CCN(C2)c1cc(c2nc(no2)C)ccn1)CC1CCCC1
• Canonical SMILES: Cc1noc(n1)c1ccnc(c1)N1CCc2c(C1)c(n[nH]2)CC1CCCC1
• InChI: InChI=1S/C20H24N6O/c1-13-22-20(27-25-13)15-6-8-21-19(11-15)26-9-7-17-16(12-26)18(24-23-17)10-14-4-2-3-5-14/h6,8,11,14H,2-5,7,9-10,12H2,1H3,(H,23,24)
• InChIKey: JHTMQESVDBRQMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(cyclopentylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine
• IUPAC Traditional name: 2-[3-(cyclopentylmethyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine
• Synonyms: 3-(cyclopentylmethyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.751736
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.6325736
• LogD (pH = 7.4): 3.6390715
• Log P: 3.639155
• Molar Refractivity: 116.3506 cm^3
• Polarizability: 39.083267 Å^3
• Polar Surface Area: 83.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.5
• LOG S: -4.84
• Polar Surface Area: 83.73 Å^2
• Rotatable Bonds: 4