6-chloro-N-methyl-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 857215
• Molecular Formular: C18H15ClN6O
• Molecular Mass: 366.8043
• Monoisotopic Mass: 366.09958681
• SMILES: c1(nc2n(c1)cc(cn2)Cl)C(=O)N(Cc1ccc(n2nccc2)cc1)C
• Canonical SMILES: Clc1cnc2n(c1)cc(n2)C(=O)N(Cc1ccc(cc1)n1cccn1)C
• InChI: InChI=1S/C18H15ClN6O/c1-23(10-13-3-5-15(6-4-13)25-8-2-7-21-25)17(26)16-12-24-11-14(19)9-20-18(24)22-16/h2-9,11-12H,10H2,1H3
• InChIKey: ATROAEDDBJFLBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-methyl-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: 6-chloro-N-methyl-N-{[4-(pyrazol-1-yl)phenyl]methyl}imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: 6-chloro-N-methyl-N-[4-(1H-pyrazol-1-yl)benzyl]imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9054106
• LogD (pH = 7.4): 1.9054731
• Log P: 1.905474
• Molar Refractivity: 101.0685 cm^3
• Polarizability: 37.50537 Å^3
• Polar Surface Area: 68.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.66
• LOG S: -3.29
• Polar Surface Area: 68.32 Å^2
• Rotatable Bonds: 4