N-(3-methoxypropyl)-1-methyl-5-[(1-methyl-1H-indol-3-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 542885
• Molecular Formular: C22H29N5O2
• Molecular Mass: 395.49796
• Monoisotopic Mass: 395.23212519
• SMILES: c12c(nn(c1CCN(C2)Cc1cn(c2c1cccc2)C)C)C(=O)NCCCOC
• Canonical SMILES: COCCCNC(=O)c1nn(c2c1CN(CC2)Cc1cn(c2c1cccc2)C)C
• InChI: InChI=1S/C22H29N5O2/c1-25-13-16(17-7-4-5-8-19(17)25)14-27-11-9-20-18(15-27)21(24-26(20)2)22(28)23-10-6-12-29-3/h4-5,7-8,13H,6,9-12,14-15H2,1-3H3,(H,23,28)
• InChIKey: BZUTZHYXUGLVOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)-1-methyl-5-[(1-methyl-1H-indol-3-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-(3-methoxypropyl)-1-methyl-5-[(1-methylindol-3-yl)methyl]-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-(3-methoxypropyl)-1-methyl-5-[(1-methyl-1H-indol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.119756
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5961369
• LogD (pH = 7.4): 1.1117096
• Log P: 1.5937529
• Molar Refractivity: 126.9094 cm^3
• Polarizability: 44.43237 Å^3
• Polar Surface Area: 64.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.03
• LOG S: -4.95
• Polar Surface Area: 64.32 Å^2
• Rotatable Bonds: 6