5-fluoro-1-methyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-1H-indole-2-carboxamide

• ChemBase ID: 733236
• Molecular Formular: C20H26FN3O2
• Molecular Mass: 359.4377432
• Monoisotopic Mass: 359.20090531
• SMILES: c1(n(c2c(c1)cc(cc2)F)C)C(=O)NC1(CN2CCOCC2)CCCC1
• Canonical SMILES: Fc1ccc2c(c1)cc(n2C)C(=O)NC1(CCCC1)CN1CCOCC1
• InChI: InChI=1S/C20H26FN3O2/c1-23-17-5-4-16(21)12-15(17)13-18(23)19(25)22-20(6-2-3-7-20)14-24-8-10-26-11-9-24/h4-5,12-13H,2-3,6-11,14H2,1H3,(H,22,25)
• InChIKey: AYKLBLXIYXOSTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-1-methyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-1H-indole-2-carboxamide
• IUPAC Traditional name: 5-fluoro-1-methyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]indole-2-carboxamide
• Synonyms: 5-fluoro-1-methyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]-1H-indole-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.113937
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.07336
• LogD (pH = 7.4): 2.3857462
• Log P: 2.511318
• Molar Refractivity: 99.5066 cm^3
• Polarizability: 38.959385 Å^3
• Polar Surface Area: 46.5 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: 1.84
• LOG S: -3.39
• Polar Surface Area: 46.5 Å^2
• Rotatable Bonds: 4