N-benzyl-N-methyl-3-({[3-(1H-pyrazol-1-yl)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 421019
• Molecular Formular: C23H26N6O
• Molecular Mass: 402.49214
• Monoisotopic Mass: 402.21680948
• SMILES: c1(nc2n(c1CNCCCn1nccc1)cccc2)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1CNCCCn1cccn1)cccc2)Cc1ccccc1
• InChI: InChI=1S/C23H26N6O/c1-27(18-19-9-3-2-4-10-19)23(30)22-20(29-16-6-5-11-21(29)26-22)17-24-12-7-14-28-15-8-13-25-28/h2-6,8-11,13,15-16,24H,7,12,14,17-18H2,1H3
• InChIKey: OZRGHZWTKIBOSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-3-({[3-(1H-pyrazol-1-yl)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-benzyl-N-methyl-3-({[3-(pyrazol-1-yl)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-benzyl-N-methyl-3-({[3-(1H-pyrazol-1-yl)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0073522
• LogD (pH = 7.4): 0.57748073
• Log P: 1.935756
• Molar Refractivity: 130.0321 cm^3
• Polarizability: 44.614086 Å^3
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.17
• LOG S: -4.38
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 9