1-{2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carbonyl}-2-(1-methyl-1H-pyrazol-3-yl)piperidine

• ChemBase ID: 400126
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c1(C(=O)N2C(c3nn(cc3)C)CCCC2)c(nc2c(c1)CCC2)OC
• Canonical SMILES: COc1nc2CCCc2cc1C(=O)N1CCCCC1c1ccn(n1)C
• InChI: InChI=1S/C19H24N4O2/c1-22-11-9-16(21-22)17-8-3-4-10-23(17)19(24)14-12-13-6-5-7-15(13)20-18(14)25-2/h9,11-12,17H,3-8,10H2,1-2H3
• InChIKey: ZYWBAPLCMQZSJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carbonyl}-2-(1-methyl-1H-pyrazol-3-yl)piperidine
• IUPAC Traditional name: 1-{2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carbonyl}-2-(1-methylpyrazol-3-yl)piperidine
• Synonyms: 2-methoxy-3-{[2-(1-methyl-1H-pyrazol-3-yl)-1-piperidinyl]carbonyl}-6,7-dihydro-5H-cyclopenta[b]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6675158
• LogD (pH = 7.4): 2.668074
• Log P: 2.668081
• Molar Refractivity: 106.8881 cm^3
• Polarizability: 36.081768 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.87
• LOG S: -3.28
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 3