2-amino-3-ethyl-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3H-imidazo[4,5-b]pyridine-6-carboxamide

• ChemBase ID: 316366
• Molecular Formular: C18H19N7O
• Molecular Mass: 349.38976
• Monoisotopic Mass: 349.16510826
• SMILES: n1(c(nc2c1ncc(C(=O)NCc1nc3n(c1)cc(cc3)C)c2)N)CC
• Canonical SMILES: CCn1c(N)nc2c1ncc(c2)C(=O)NCc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C18H19N7O/c1-3-25-16-14(23-18(25)19)6-12(7-20-16)17(26)21-8-13-10-24-9-11(2)4-5-15(24)22-13/h4-7,9-10H,3,8H2,1-2H3,(H2,19,23)(H,21,26)
• InChIKey: IVMPMOKPNLQWLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-ethyl-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3H-imidazo[4,5-b]pyridine-6-carboxamide
• IUPAC Traditional name: 2-amino-3-ethyl-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)imidazo[4,5-b]pyridine-6-carboxamide
• Synonyms: 2-amino-3-ethyl-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3H-imidazo[4,5-b]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.185203
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.25144264
• LogD (pH = 7.4): 0.99736553
• Log P: 1.0250881
• Molar Refractivity: 99.5683 cm^3
• Polarizability: 36.82355 Å^3
• Polar Surface Area: 103.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.88
• LOG S: -4.67
• Polar Surface Area: 103.13 Å^2
• Rotatable Bonds: 4