N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 761825
• Molecular Formular: C18H19N5O
• Molecular Mass: 321.37636
• Monoisotopic Mass: 321.15896025
• SMILES: c1(nn2c(c1)nccc2)C(=O)NCCCN1c2c(CC1)cccc2
• Canonical SMILES: O=C(c1nn2c(c1)nccc2)NCCCN1CCc2c1cccc2
• InChI: InChI=1S/C18H19N5O/c24-18(15-13-17-19-8-4-11-23(17)21-15)20-9-3-10-22-12-7-14-5-1-2-6-16(14)22/h1-2,4-6,8,11,13H,3,7,9-10,12H2,(H,20,24)
• InChIKey: ZWZYGORNQBHQLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-[3-(2,3-dihydroindol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.922691
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0650594
• LogD (pH = 7.4): 2.121976
• Log P: 2.1227522
• Molar Refractivity: 104.0693 cm^3
• Polarizability: 34.366978 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.24
• LOG S: -2.6
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5