2-amino-N-[3-(cyclopentyloxy)propyl]-3-ethyl-3H-imidazo[4,5-b]pyridine-6-carboxamide

• ChemBase ID: 550186
• Molecular Formular: C17H25N5O2
• Molecular Mass: 331.4127
• Monoisotopic Mass: 331.20082507
• SMILES: n1(c(nc2c1ncc(C(=O)NCCCOC1CCCC1)c2)N)CC
• Canonical SMILES: CCn1c(N)nc2c1ncc(c2)C(=O)NCCCOC1CCCC1
• InChI: InChI=1S/C17H25N5O2/c1-2-22-15-14(21-17(22)18)10-12(11-20-15)16(23)19-8-5-9-24-13-6-3-4-7-13/h10-11,13H,2-9H2,1H3,(H2,18,21)(H,19,23)
• InChIKey: MKPDCPSPFQLDIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[3-(cyclopentyloxy)propyl]-3-ethyl-3H-imidazo[4,5-b]pyridine-6-carboxamide
• IUPAC Traditional name: 2-amino-N-[3-(cyclopentyloxy)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
• Synonyms: 2-amino-N-[3-(cyclopentyloxy)propyl]-3-ethyl-3H-imidazo[4,5-b]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.372758
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.251442
• LogD (pH = 7.4): 1.2866349
• Log P: 1.2871041
• Molar Refractivity: 92.8804 cm^3
• Polarizability: 35.370247 Å^3
• Polar Surface Area: 95.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.93
• LOG S: -3.41
• Polar Surface Area: 95.06 Å^2
• Rotatable Bonds: 7