1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-4-[2-(2-phenylethyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine

• ChemBase ID: 716218
• Molecular Formular: C30H29N5O2
• Molecular Mass: 491.58356
• Monoisotopic Mass: 491.23212519
• SMILES: c1(C(=O)N2CCC(n3c(nc4c3nccc4)CCc3ccccc3)CC2)c(noc1C)c1ccccc1
• Canonical SMILES: Cc1onc(c1C(=O)N1CCC(CC1)n1c(CCc2ccccc2)nc2c1nccc2)c1ccccc1
• InChI: InChI=1S/C30H29N5O2/c1-21-27(28(33-37-21)23-11-6-3-7-12-23)30(36)34-19-16-24(17-20-34)35-26(15-14-22-9-4-2-5-10-22)32-25-13-8-18-31-29(25)35/h2-13,18,24H,14-17,19-20H2,1H3
• InChIKey: DBHJOCLSCUZCPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-4-[2-(2-phenylethyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine
• IUPAC Traditional name: 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidine
• Synonyms: 3-{1-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]-4-piperidinyl}-2-(2-phenylethyl)-3H-imidazo[4,5-b]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.7389913
• LogD (pH = 7.4): 4.7399874
• Log P: 4.7400002
• Molar Refractivity: 143.1732 cm^3
• Polarizability: 55.842503 Å^3
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.01
• LOG S: -6.69
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 6