1-(cyclopropylmethyl)-5-(3,4-dihydro-2H-1-benzopyran-3-carbonyl)-N-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 319469
• Molecular Formular: C27H29N5O3
• Molecular Mass: 471.55086
• Monoisotopic Mass: 471.22703981
• SMILES: c12c(nn(c1CCN(C(=O)C1Cc3c(OC1)cccc3)C2)CC1CC1)C(=O)NCc1ncccc1
• Canonical SMILES: O=C(N1CCc2c(C1)c(nn2CC1CC1)C(=O)NCc1ccccn1)C1COc2c(C1)cccc2
• InChI: InChI=1S/C27H29N5O3/c33-26(29-14-21-6-3-4-11-28-21)25-22-16-31(12-10-23(22)32(30-25)15-18-8-9-18)27(34)20-13-19-5-1-2-7-24(19)35-17-20/h1-7,11,18,20H,8-10,12-17H2,(H,29,33)
• InChIKey: UHRGTJQVCTVTKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-5-(3,4-dihydro-2H-1-benzopyran-3-carbonyl)-N-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-5-(3,4-dihydro-2H-1-benzopyran-3-carbonyl)-N-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-5-(3,4-dihydro-2H-chromen-3-ylcarbonyl)-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.839204
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.0136616
• LogD (pH = 7.4): 2.0313997
• Log P: 2.031631
• Molar Refractivity: 142.4254 cm^3
• Polarizability: 49.989365 Å^3
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.66
• LOG S: -6.54
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 6