5-(methoxymethyl)-N-[1-methyl-4-(pyridin-3-yloxy)-1H-indazol-3-yl]furan-2-carboxamide

• ChemBase ID: 665648
• Molecular Formular: C20H18N4O4
• Molecular Mass: 378.38132
• Monoisotopic Mass: 378.13280508
• SMILES: c1(nn(c2c1c(Oc1cnccc1)ccc2)C)NC(=O)c1oc(cc1)COC
• Canonical SMILES: COCc1ccc(o1)C(=O)Nc1nn(c2c1c(ccc2)Oc1cccnc1)C
• InChI: InChI=1S/C20H18N4O4/c1-24-15-6-3-7-16(27-13-5-4-10-21-11-13)18(15)19(23-24)22-20(25)17-9-8-14(28-17)12-26-2/h3-11H,12H2,1-2H3,(H,22,23,25)
• InChIKey: RRCRNNIPCREOAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(methoxymethyl)-N-[1-methyl-4-(pyridin-3-yloxy)-1H-indazol-3-yl]furan-2-carboxamide
• IUPAC Traditional name: 5-(methoxymethyl)-N-[1-methyl-4-(pyridin-3-yloxy)indazol-3-yl]furan-2-carboxamide
• Synonyms: 5-(methoxymethyl)-N-[1-methyl-4-(pyridin-3-yloxy)-1H-indazol-3-yl]-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.931753
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1981368
• LogD (pH = 7.4): 2.2431242
• Log P: 2.2449653
• Molar Refractivity: 115.0555 cm^3
• Polarizability: 39.695183 Å^3
• Polar Surface Area: 91.41 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: 3.43
• LOG S: -4.89
• Polar Surface Area: 91.41 Å^2
• Rotatable Bonds: 6