N-[1-(cyclopropylmethyl)-1H-indazol-3-yl]-2-[4-(5-methylfuran-2-yl)-1H-pyrazol-1-yl]acetamide

• ChemBase ID: 480602
• Molecular Formular: C21H21N5O2
• Molecular Mass: 375.42374
• Monoisotopic Mass: 375.16952494
• SMILES: c1(nn(c2c1cccc2)CC1CC1)NC(=O)Cn1ncc(c2oc(cc2)C)c1
• Canonical SMILES: O=C(Nc1nn(c2c1cccc2)CC1CC1)Cn1ncc(c1)c1ccc(o1)C
• InChI: InChI=1S/C21H21N5O2/c1-14-6-9-19(28-14)16-10-22-25(12-16)13-20(27)23-21-17-4-2-3-5-18(17)26(24-21)11-15-7-8-15/h2-6,9-10,12,15H,7-8,11,13H2,1H3,(H,23,24,27)
• InChIKey: HGHYROQPLHPUOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclopropylmethyl)-1H-indazol-3-yl]-2-[4-(5-methylfuran-2-yl)-1H-pyrazol-1-yl]acetamide
• IUPAC Traditional name: N-[1-(cyclopropylmethyl)indazol-3-yl]-2-[4-(5-methylfuran-2-yl)pyrazol-1-yl]acetamide
• Synonyms: N-[1-(cyclopropylmethyl)-1H-indazol-3-yl]-2-[4-(5-methyl-2-furyl)-1H-pyrazol-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.1278305
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0421703
• LogD (pH = 7.4): 3.0421195
• Log P: 3.0421972
• Molar Refractivity: 129.4867 cm^3
• Polarizability: 42.075363 Å^3
• Polar Surface Area: 77.88 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.87
• LOG S: -5.24
• Polar Surface Area: 77.88 Å^2
• Rotatable Bonds: 6