N-[(1R,3R)-3-aminocyclopentyl]-3-methyl-3H-imidazo[4,5-b]pyridine-6-carboxamide

• ChemBase ID: 451478
• Molecular Formular: C13H17N5O
• Molecular Mass: 259.30698
• Monoisotopic Mass: 259.14331019
• SMILES: c12n(cnc2cc(C(=O)N[C@H]2C[C@H](N)CC2)cn1)C
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)c1cnc2c(c1)ncn2C
• InChI: InChI=1S/C13H17N5O/c1-18-7-16-11-4-8(6-15-12(11)18)13(19)17-10-3-2-9(14)5-10/h4,6-7,9-10H,2-3,5,14H2,1H3,(H,17,19)/t9-,10-/m1/s1
• InChIKey: ZDECJDDGGRCXAY-NXEZZACHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-3-methyl-3H-imidazo[4,5-b]pyridine-6-carboxamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-3-methyl-3H-imidazo[4,5-b]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.552339
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.5236194
• LogD (pH = 7.4): -2.9740486
• Log P: -0.5044064
• Molar Refractivity: 71.3326 cm^3
• Polarizability: 27.69915 Å^3
• Polar Surface Area: 85.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.31
• LOG S: -2.14
• Polar Surface Area: 85.83 Å^2
• Rotatable Bonds: 2