2-amino-N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-3-ethyl-3H-imidazo[4,5-b]pyridine-6-carboxamide

• ChemBase ID: 714091
• Molecular Formular: C18H23N7O
• Molecular Mass: 353.42152
• Monoisotopic Mass: 353.19640839
• SMILES: n1(c(nc2c1ncc(C(=O)NCCCn1c(C3CC3)ccn1)c2)N)CC
• Canonical SMILES: CCn1c(N)nc2c1ncc(c2)C(=O)NCCCn1nccc1C1CC1
• InChI: InChI=1S/C18H23N7O/c1-2-24-16-14(23-18(24)19)10-13(11-21-16)17(26)20-7-3-9-25-15(6-8-22-25)12-4-5-12/h6,8,10-12H,2-5,7,9H2,1H3,(H2,19,23)(H,20,26)
• InChIKey: QAZJJBLCRYEGRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-3-ethyl-3H-imidazo[4,5-b]pyridine-6-carboxamide
• IUPAC Traditional name: 2-amino-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
• Synonyms: 2-amino-N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-3-ethyl-3H-imidazo[4,5-b]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.373107
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.7963396
• LogD (pH = 7.4): 0.8318165
• Log P: 0.8322894
• Molar Refractivity: 110.7592 cm^3
• Polarizability: 37.31903 Å^3
• Polar Surface Area: 103.65 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: 0.73
• LOG S: -3.65
• Polar Surface Area: 103.65 Å^2
• Rotatable Bonds: 7