6-chloro-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 847314
• Molecular Formular: C14H13ClN6O
• Molecular Mass: 316.74562
• Monoisotopic Mass: 316.08393675
• SMILES: c1(nc2n(c1)cc(cn2)Cl)C(=O)Nc1n2c(nc1)CCCC2
• Canonical SMILES: Clc1cnc2n(c1)cc(n2)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C14H13ClN6O/c15-9-5-17-14-18-10(8-20(14)7-9)13(22)19-12-6-16-11-3-1-2-4-21(11)12/h5-8H,1-4H2,(H,19,22)
• InChIKey: NZUULCDQIMFQPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: 6-chloro-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: 6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.071418
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.224328
• LogD (pH = 7.4): 0.8508173
• Log P: 0.8782081
• Molar Refractivity: 83.7977 cm^3
• Polarizability: 30.308 Å^3
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.37
• LOG S: -2.68
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 2