{[1-(piperidin-1-yl)cyclopentyl]methyl}({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine

• ChemBase ID: 484083
• Molecular Formular: C24H35N5O
• Molecular Mass: 409.5676
• Monoisotopic Mass: 409.28416077
• SMILES: c1(nc2n(c1CNCC1(N3CCCCC3)CCCC1)cccc2)C(=O)N1CCCC1
• Canonical SMILES: O=C(c1nc2n(c1CNCC1(CCCC1)N1CCCCC1)cccc2)N1CCCC1
• InChI: InChI=1S/C24H35N5O/c30-23(27-13-8-9-14-27)22-20(29-17-7-2-10-21(29)26-22)18-25-19-24(11-3-4-12-24)28-15-5-1-6-16-28/h2,7,10,17,25H,1,3-6,8-9,11-16,18-19H2
• InChIKey: NZRVQBOMFNWVHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(piperidin-1-yl)cyclopentyl]methyl}({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• IUPAC Traditional name: {[1-(piperidin-1-yl)cyclopentyl]methyl}({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• Synonyms: 1-[1-(1-piperidinyl)cyclopentyl]-N-{[2-(1-pyrrolidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1208016
• LogD (pH = 7.4): 0.285776
• Log P: 2.475021
• Molar Refractivity: 121.5666 cm^3
• Polarizability: 46.457226 Å^3
• Polar Surface Area: 52.88 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: 2.97
• LOG S: -3.92
• Polar Surface Area: 52.88 Å^2
• Rotatable Bonds: 6