N-cyclobutyl-5-{4-[2-(1H-pyrazol-1-yl)ethyl]piperidine-1-carbonyl}pyridin-2-amine

• ChemBase ID: 700134
• Molecular Formular: C20H27N5O
• Molecular Mass: 353.46128
• Monoisotopic Mass: 353.22156051
• SMILES: C(=O)(N1CCC(CC1)CCn1nccc1)c1cnc(NC2CCC2)cc1
• Canonical SMILES: O=C(c1ccc(nc1)NC1CCC1)N1CCC(CC1)CCn1cccn1
• InChI: InChI=1S/C20H27N5O/c26-20(17-5-6-19(21-15-17)23-18-3-1-4-18)24-12-7-16(8-13-24)9-14-25-11-2-10-22-25/h2,5-6,10-11,15-16,18H,1,3-4,7-9,12-14H2,(H,21,23)
• InChIKey: GHDQUHXVAVGNEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-5-{4-[2-(1H-pyrazol-1-yl)ethyl]piperidine-1-carbonyl}pyridin-2-amine
• IUPAC Traditional name: N-cyclobutyl-5-{4-[2-(pyrazol-1-yl)ethyl]piperidine-1-carbonyl}pyridin-2-amine
• Synonyms: N-cyclobutyl-5-({4-[2-(1H-pyrazol-1-yl)ethyl]-1-piperidinyl}carbonyl)-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9754875
• LogD (pH = 7.4): 2.0941317
• Log P: 2.095893
• Molar Refractivity: 115.0128 cm^3
• Polarizability: 38.52658 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: 2.25
• LOG S: -5.64
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6