N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(morpholine-4-carbonyl)pyridin-4-amine

• ChemBase ID: 547246
• Molecular Formular: C20H21FN4O2
• Molecular Mass: 368.4047432
• Monoisotopic Mass: 368.16485415
• SMILES: c1([nH]c2c(c1)cc(cc2)F)CN(c1cc(C(=O)N2CCOCC2)ncc1)C
• Canonical SMILES: Fc1ccc2c(c1)cc([nH]2)CN(c1ccnc(c1)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C20H21FN4O2/c1-24(13-16-11-14-10-15(21)2-3-18(14)23-16)17-4-5-22-19(12-17)20(26)25-6-8-27-9-7-25/h2-5,10-12,23H,6-9,13H2,1H3
• InChIKey: ZJOSVKAISCDQCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(morpholine-4-carbonyl)pyridin-4-amine
• IUPAC Traditional name: N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(morpholine-4-carbonyl)pyridin-4-amine
• Synonyms: N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-morpholinylcarbonyl)-4-pyridinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.724816
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1597993
• LogD (pH = 7.4): 2.2141552
• Log P: 2.2148976
• Molar Refractivity: 101.697 cm^3
• Polarizability: 38.86612 Å^3
• Polar Surface Area: 61.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.68
• LOG S: -3.32
• Polar Surface Area: 61.46 Å^2
• Rotatable Bonds: 4