2-(1H-indazol-1-yl)-N-[2-(morpholin-4-yl)-2-(pyridin-4-yl)ethyl]acetamide

• ChemBase ID: 825177
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: n1(ncc2c1cccc2)CC(=O)NCC(N1CCOCC1)c1ccncc1
• Canonical SMILES: O=C(Cn1ncc2c1cccc2)NCC(c1ccncc1)N1CCOCC1
• InChI: InChI=1S/C20H23N5O2/c26-20(15-25-18-4-2-1-3-17(18)13-23-25)22-14-19(16-5-7-21-8-6-16)24-9-11-27-12-10-24/h1-8,13,19H,9-12,14-15H2,(H,22,26)
• InChIKey: RDNMYFKWPMVVPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-indazol-1-yl)-N-[2-(morpholin-4-yl)-2-(pyridin-4-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(indazol-1-yl)-N-[2-(morpholin-4-yl)-2-(pyridin-4-yl)ethyl]acetamide
• Synonyms: 2-(1H-indazol-1-yl)-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.077557
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.29250017
• LogD (pH = 7.4): 0.6735817
• Log P: 0.68141234
• Molar Refractivity: 113.3121 cm^3
• Polarizability: 40.761513 Å^3
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.19
• LOG S: -2.04
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 6