N-[2-(1H-indol-1-yl)ethyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 479674
• Molecular Formular: C19H19N5O
• Molecular Mass: 333.38706
• Monoisotopic Mass: 333.15896025
• SMILES: c1(c2n(nc1)cc(cn2)C)C(=O)N(CCn1ccc2c1cccc2)C
• Canonical SMILES: Cc1cnc2n(c1)ncc2C(=O)N(CCn1ccc2c1cccc2)C
• InChI: InChI=1S/C19H19N5O/c1-14-11-20-18-16(12-21-24(18)13-14)19(25)22(2)9-10-23-8-7-15-5-3-4-6-17(15)23/h3-8,11-13H,9-10H2,1-2H3
• InChIKey: ZAJZXISEARUNJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-1-yl)ethyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-[2-(indol-1-yl)ethyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N-[2-(1H-indol-1-yl)ethyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5885422
• LogD (pH = 7.4): 2.5885453
• Log P: 2.5885453
• Molar Refractivity: 107.7588 cm^3
• Polarizability: 37.31544 Å^3
• Polar Surface Area: 55.43 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: 0.7
• LOG S: -3.34
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4