N-[3-(1H-indazol-1-yl)propyl]-3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 629089
• Molecular Formular: C24H24N6O2
• Molecular Mass: 428.48636
• Monoisotopic Mass: 428.19607404
• SMILES: n1n(c2c(c1)cccc2)CCCNC(=O)CCc1nnc(o1)Cc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(CCc1nnc(o1)Cc1c[nH]c2c1cccc2)NCCCn1ncc2c1cccc2
• InChI: InChI=1S/C24H24N6O2/c31-22(25-12-5-13-30-21-9-4-1-6-17(21)16-27-30)10-11-23-28-29-24(32-23)14-18-15-26-20-8-3-2-7-19(18)20/h1-4,6-9,15-16,26H,5,10-14H2,(H,25,31)
• InChIKey: WBSVFMDCKLZWEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-indazol-1-yl)propyl]-3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-[3-(indazol-1-yl)propyl]-3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-[3-(1H-indazol-1-yl)propyl]-3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.143395
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6839179
• LogD (pH = 7.4): 1.6839314
• Log P: 1.6839316
• Molar Refractivity: 133.4711 cm^3
• Polarizability: 48.160767 Å^3
• Polar Surface Area: 101.63 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.05
• LOG S: -6.36
• Polar Surface Area: 101.63 Å^2
• Rotatable Bonds: 9