3-[(1R,5S)-6-azabicyclo[3.2.1]octan-6-ylmethyl]-N-benzyl-N-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 586079
• Molecular Formular: C24H28N4O
• Molecular Mass: 388.50532
• Monoisotopic Mass: 388.22631154
• SMILES: c1(c(n2c(n1)cccc2)CN1[C@@H]2C[C@H](C1)CCC2)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1CN1C[C@H]3C[C@@H]1CCC3)cccc2)Cc1ccccc1
• InChI: InChI=1S/C24H28N4O/c1-26(15-18-8-3-2-4-9-18)24(29)23-21(28-13-6-5-12-22(28)25-23)17-27-16-19-10-7-11-20(27)14-19/h2-6,8-9,12-13,19-20H,7,10-11,14-17H2,1H3/t19-,20+/m1/s1
• InChIKey: TXETZOLLBOQWPP-UXHICEINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1R,5S)-6-azabicyclo[3.2.1]octan-6-ylmethyl]-N-benzyl-N-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 3-[(1R,5S)-6-azabicyclo[3.2.1]octan-6-ylmethyl]-N-benzyl-N-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 3-[(1R*,5S*)-6-azabicyclo[3.2.1]oct-6-ylmethyl]-N-benzyl-N-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.27269325
• LogD (pH = 7.4): 1.9874957
• Log P: 3.275405
• Molar Refractivity: 116.6222 cm^3
• Polarizability: 44.20796 Å^3
• Polar Surface Area: 40.85 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: 3.54
• LOG S: -2.77
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 5