dimethyl({[4-(1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-2-yl)phenyl]methyl})amine

• ChemBase ID: 841174
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: c1(C(=O)N2C(c3ccc(CN(C)C)cc3)CCCC2)c2n(nc1)cccc2
• Canonical SMILES: CN(Cc1ccc(cc1)C1CCCCN1C(=O)c1cnn2c1cccc2)C
• InChI: InChI=1S/C22H26N4O/c1-24(2)16-17-9-11-18(12-10-17)20-7-3-5-13-25(20)22(27)19-15-23-26-14-6-4-8-21(19)26/h4,6,8-12,14-15,20H,3,5,7,13,16H2,1-2H3
• InChIKey: BWTUMHVPKQCPFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({[4-(1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-2-yl)phenyl]methyl})amine
• IUPAC Traditional name: dimethyl({[4-(1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-2-yl)phenyl]methyl})amine
• Synonyms: N,N-dimethyl-1-{4-[1-(pyrazolo[1,5-a]pyridin-3-ylcarbonyl)-2-piperidinyl]phenyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2202215
• LogD (pH = 7.4): 1.85049
• Log P: 3.3771784
• Molar Refractivity: 119.8172 cm^3
• Polarizability: 41.9257 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.23
• LOG S: -3.75
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4