N-cyclobutyl-5-{2-[2-(1H-pyrazol-1-yl)ethyl]piperidine-1-carbonyl}pyridin-2-amine

• ChemBase ID: 686860
• Molecular Formular: C20H27N5O
• Molecular Mass: 353.46128
• Monoisotopic Mass: 353.22156051
• SMILES: C(=O)(N1C(CCn2nccc2)CCCC1)c1cnc(NC2CCC2)cc1
• Canonical SMILES: O=C(N1CCCCC1CCn1cccn1)c1ccc(nc1)NC1CCC1
• InChI: InChI=1S/C20H27N5O/c26-20(16-8-9-19(21-15-16)23-17-5-3-6-17)25-13-2-1-7-18(25)10-14-24-12-4-11-22-24/h4,8-9,11-12,15,17-18H,1-3,5-7,10,13-14H2,(H,21,23)
• InChIKey: LYVSGPFVIMTSJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-5-{2-[2-(1H-pyrazol-1-yl)ethyl]piperidine-1-carbonyl}pyridin-2-amine
• IUPAC Traditional name: N-cyclobutyl-5-{2-[2-(pyrazol-1-yl)ethyl]piperidine-1-carbonyl}pyridin-2-amine
• Synonyms: N-cyclobutyl-5-({2-[2-(1H-pyrazol-1-yl)ethyl]-1-piperidinyl}carbonyl)-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1105506
• LogD (pH = 7.4): 2.2288532
• Log P: 2.2306085
• Molar Refractivity: 114.7624 cm^3
• Polarizability: 38.605843 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.7
• LOG S: -5.29
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6