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

• ChemBase ID: 407921
• Molecular Formular: C19H25N7O
• Molecular Mass: 367.4481
• Monoisotopic Mass: 367.21205846
• SMILES: n1(c(nc2c1ncc(C(=O)NCC1(Cn3nc(cc3C)C)CC1)c2)N)CC
• Canonical SMILES: CCn1c(N)nc2c1ncc(c2)C(=O)NCC1(CC1)Cn1nc(cc1C)C
• InChI: InChI=1S/C19H25N7O/c1-4-25-16-15(23-18(25)20)8-14(9-21-16)17(27)22-10-19(5-6-19)11-26-13(3)7-12(2)24-26/h7-9H,4-6,10-11H2,1-3H3,(H2,20,23)(H,22,27)
• InChIKey: PIJXWFRENXKPRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.365426
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.0091547
• LogD (pH = 7.4): 1.047332
• Log P: 1.0478394
• Molar Refractivity: 115.1144 cm^3
• Polarizability: 39.078888 Å^3
• Polar Surface Area: 103.65 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.74
• LOG S: -4.19
• Polar Surface Area: 103.65 Å^2
• Rotatable Bonds: 6