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

• ChemBase ID: 359482
• Molecular Formular: C22H27N5O2
• Molecular Mass: 393.48208
• Monoisotopic Mass: 393.21647513
• SMILES: c12c(nn(c1CCN(C2)Cc1c2c(ncc1)cccc2)C)C(=O)NCCCOC
• Canonical SMILES: COCCCNC(=O)c1nn(c2c1CN(CC2)Cc1ccnc2c1cccc2)C
• InChI: InChI=1S/C22H27N5O2/c1-26-20-9-12-27(14-16-8-11-23-19-7-4-3-6-17(16)19)15-18(20)21(25-26)22(28)24-10-5-13-29-2/h3-4,6-8,11H,5,9-10,12-15H2,1-2H3,(H,24,28)
• InChIKey: SKAUXQPRXORKJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.119756
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.5975036
• LogD (pH = 7.4): 1.0549035
• Log P: 1.4289695
• Molar Refractivity: 124.8475 cm^3
• Polarizability: 44.08387 Å^3
• Polar Surface Area: 72.28 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: 1.46
• LOG S: -4.16
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 6