1-(3-{4-[2-(cyclopentylmethyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl}phenyl)imidazolidin-2-one

• ChemBase ID: 320432
• Molecular Formular: C27H32N6O2
• Molecular Mass: 472.58198
• Monoisotopic Mass: 472.25867429
• SMILES: n1(c(nc2c1nccc2)CC1CCCC1)C1CCN(C(=O)c2cc(N3C(=O)NCC3)ccc2)CC1
• Canonical SMILES: O=C1NCCN1c1cccc(c1)C(=O)N1CCC(CC1)n1c(CC2CCCC2)nc2c1nccc2
• InChI: InChI=1S/C27H32N6O2/c34-26(20-7-3-8-22(18-20)32-16-13-29-27(32)35)31-14-10-21(11-15-31)33-24(17-19-5-1-2-6-19)30-23-9-4-12-28-25(23)33/h3-4,7-9,12,18-19,21H,1-2,5-6,10-11,13-17H2,(H,29,35)
• InChIKey: RWSJELFPZDQHBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-{4-[2-(cyclopentylmethyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl}phenyl)imidazolidin-2-one
• IUPAC Traditional name: 1-(3-{4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl}phenyl)imidazolidin-2-one
• Synonyms: 1-[3-({4-[2-(cyclopentylmethyl)-3H-imidazo[4,5-b]pyridin-3-yl]-1-piperidinyl}carbonyl)phenyl]-2-imidazolidinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.585186
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5408864
• LogD (pH = 7.4): 2.5418146
• Log P: 2.5418265
• Molar Refractivity: 133.254 cm^3
• Polarizability: 51.363823 Å^3
• Polar Surface Area: 83.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.4
• LOG S: -7.38
• Polar Surface Area: 83.36 Å^2
• Rotatable Bonds: 5