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

• ChemBase ID: 765682
• Molecular Formular: C21H29N5O
• Molecular Mass: 367.48786
• Monoisotopic Mass: 367.23721057
• SMILES: C(=O)(N1C(CCn2nccc2)CCCC1)c1cnc(NC2CCCC2)cc1
• Canonical SMILES: O=C(N1CCCCC1CCn1cccn1)c1ccc(nc1)NC1CCCC1
• InChI: InChI=1S/C21H29N5O/c27-21(17-9-10-20(22-16-17)24-18-6-1-2-7-18)26-14-4-3-8-19(26)11-15-25-13-5-12-23-25/h5,9-10,12-13,16,18-19H,1-4,6-8,11,14-15H2,(H,22,24)
• InChIKey: ALBIIUJLHSOWLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-5-{2-[2-(1H-pyrazol-1-yl)ethyl]piperidine-1-carbonyl}pyridin-2-amine
• IUPAC Traditional name: N-cyclopentyl-5-{2-[2-(pyrazol-1-yl)ethyl]piperidine-1-carbonyl}pyridin-2-amine
• Synonyms: N-cyclopentyl-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): 2.5551193
• LogD (pH = 7.4): 2.6734219
• Log P: 2.675177
• Molar Refractivity: 119.3634 cm^3
• Polarizability: 40.4461 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: 3.26
• LOG S: -5.64
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6