N-[3-(1H-indazol-1-yl)propyl]-2-[2-(propan-2-yl)-1H-imidazol-1-yl]propanamide

• ChemBase ID: 710570
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: n1(c(ncc1)C(C)C)C(C(=O)NCCCn1ncc2c1cccc2)C
• Canonical SMILES: O=C(C(n1ccnc1C(C)C)C)NCCCn1ncc2c1cccc2
• InChI: InChI=1S/C19H25N5O/c1-14(2)18-20-10-12-23(18)15(3)19(25)21-9-6-11-24-17-8-5-4-7-16(17)13-22-24/h4-5,7-8,10,12-15H,6,9,11H2,1-3H3,(H,21,25)
• InChIKey: IGFLYZILTGEPGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-indazol-1-yl)propyl]-2-[2-(propan-2-yl)-1H-imidazol-1-yl]propanamide
• IUPAC Traditional name: N-[3-(indazol-1-yl)propyl]-2-(2-isopropylimidazol-1-yl)propanamide
• Synonyms: N-[3-(1H-indazol-1-yl)propyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.41391
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.266224
• LogD (pH = 7.4): 2.0843127
• Log P: 2.2169383
• Molar Refractivity: 109.0345 cm^3
• Polarizability: 38.755882 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.11
• LOG S: -3.48
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 7