3-(3-methoxyphenoxymethyl)-1-{pyrazolo[1,5-a]pyridine-7-carbonyl}piperidine

• ChemBase ID: 456789
• Molecular Formular: C21H23N3O3
• Molecular Mass: 365.42562
• Monoisotopic Mass: 365.17394161
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N1CC(COc2cc(OC)ccc2)CCC1
• Canonical SMILES: COc1cccc(c1)OCC1CCCN(C1)C(=O)c1cccc2n1ncc2
• InChI: InChI=1S/C21H23N3O3/c1-26-18-7-3-8-19(13-18)27-15-16-5-4-12-23(14-16)21(25)20-9-2-6-17-10-11-22-24(17)20/h2-3,6-11,13,16H,4-5,12,14-15H2,1H3
• InChIKey: MPWIUIIOKOOCFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methoxyphenoxymethyl)-1-{pyrazolo[1,5-a]pyridine-7-carbonyl}piperidine
• IUPAC Traditional name: 3-(3-methoxyphenoxymethyl)-1-{pyrazolo[1,5-a]pyridine-7-carbonyl}piperidine
• Synonyms: 7-({3-[(3-methoxyphenoxy)methyl]-1-piperidinyl}carbonyl)pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7178195
• LogD (pH = 7.4): 2.7178733
• Log P: 2.717874
• Molar Refractivity: 113.8938 cm^3
• Polarizability: 39.89672 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.22
• LOG S: -3.76
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 5