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

• ChemBase ID: 455099
• Molecular Formular: C23H25N5O3
• Molecular Mass: 419.4763
• Monoisotopic Mass: 419.19573969
• SMILES: c12c(nn(c1CCN(C(=O)c1c(cco1)C)C2)CC1CC1)C(=O)NCc1ncccc1
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)C(=O)c1occc1C)CC1CC1)NCc1ccccn1
• InChI: InChI=1S/C23H25N5O3/c1-15-8-11-31-21(15)23(30)27-10-7-19-18(14-27)20(26-28(19)13-16-5-6-16)22(29)25-12-17-4-2-3-9-24-17/h2-4,8-9,11,16H,5-7,10,12-14H2,1H3,(H,25,29)
• InChIKey: ARUIAONYFDAICQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.839113
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5394748
• LogD (pH = 7.4): 1.5572127
• Log P: 1.5574441
• Molar Refractivity: 126.654 cm^3
• Polarizability: 42.969 Å^3
• Polar Surface Area: 93.26 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: 1.37
• LOG S: -6.26
• Polar Surface Area: 93.26 Å^2
• Rotatable Bonds: 6