N-[1-(1H-indol-2-yl)ethyl]-N,5-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 843937
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)N(C(c1[nH]c2c(c1)cccc2)C)C
• Canonical SMILES: CN1CCn2c(C1)cc(n2)C(=O)N(C(c1cc2c([nH]1)cccc2)C)C
• InChI: InChI=1S/C19H23N5O/c1-13(17-10-14-6-4-5-7-16(14)20-17)23(3)19(25)18-11-15-12-22(2)8-9-24(15)21-18/h4-7,10-11,13,20H,8-9,12H2,1-3H3
• InChIKey: MHHRAMUHMRWUHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1H-indol-2-yl)ethyl]-N,5-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-[1-(1H-indol-2-yl)ethyl]-N,5-dimethyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-[1-(1H-indol-2-yl)ethyl]-N,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.578152
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4469684
• LogD (pH = 7.4): 1.9234332
• Log P: 1.9346328
• Molar Refractivity: 109.9078 cm^3
• Polarizability: 38.382843 Å^3
• Polar Surface Area: 57.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.56
• LOG S: -2.99
• Polar Surface Area: 57.16 Å^2
• Rotatable Bonds: 3