2-{[(4-chloro-1-methyl-1H-indazol-3-yl)methyl](methyl)amino}-N,N-dimethylpropanamide

• ChemBase ID: 571663
• Molecular Formular: C15H21ClN4O
• Molecular Mass: 308.80644
• Monoisotopic Mass: 308.14038899
• SMILES: c1(nn(c2c1c(Cl)ccc2)C)CN(C(C(=O)N(C)C)C)C
• Canonical SMILES: CN(C(C(=O)N(C)C)C)Cc1nn(c2c1c(Cl)ccc2)C
• InChI: InChI=1S/C15H21ClN4O/c1-10(15(21)18(2)3)19(4)9-12-14-11(16)7-6-8-13(14)20(5)17-12/h6-8,10H,9H2,1-5H3
• InChIKey: PBUYLQSTNUQGFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(4-chloro-1-methyl-1H-indazol-3-yl)methyl](methyl)amino}-N,N-dimethylpropanamide
• IUPAC Traditional name: 2-{[(4-chloro-1-methylindazol-3-yl)methyl](methyl)amino}-N,N-dimethylpropanamide
• Synonyms: N~2~-[(4-chloro-1-methyl-1H-indazol-3-yl)methyl]-N~1~,N~1~,N~2~-trimethylalaninamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.75219727
• LogD (pH = 7.4): 1.6893411
• Log P: 1.7340542
• Molar Refractivity: 96.3085 cm^3
• Polarizability: 33.8996 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.98
• LOG S: -3.14
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 4