6-chloro-1-methyl-2-[4-(pyrimidin-2-yloxy)piperidine-1-carbonyl]-1H-indole

• ChemBase ID: 404164
• Molecular Formular: C19H19ClN4O2
• Molecular Mass: 370.83276
• Monoisotopic Mass: 370.11965355
• SMILES: c1(n(c2c(c1)ccc(c2)Cl)C)C(=O)N1CCC(Oc2ncccn2)CC1
• Canonical SMILES: Clc1ccc2c(c1)n(C)c(c2)C(=O)N1CCC(CC1)Oc1ncccn1
• InChI: InChI=1S/C19H19ClN4O2/c1-23-16-12-14(20)4-3-13(16)11-17(23)18(25)24-9-5-15(6-10-24)26-19-21-7-2-8-22-19/h2-4,7-8,11-12,15H,5-6,9-10H2,1H3
• InChIKey: RWMSYTTZHKYKFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-1-methyl-2-[4-(pyrimidin-2-yloxy)piperidine-1-carbonyl]-1H-indole
• IUPAC Traditional name: 6-chloro-1-methyl-2-[4-(pyrimidin-2-yloxy)piperidine-1-carbonyl]indole
• Synonyms: 6-chloro-1-methyl-2-{[4-(pyrimidin-2-yloxy)piperidin-1-yl]carbonyl}-1H-indole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5251987
• LogD (pH = 7.4): 2.525209
• Log P: 2.525209
• Molar Refractivity: 100.1898 cm^3
• Polarizability: 38.97153 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.48
• LOG S: -3.17
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 3