5-methyl-N-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}-2,3-dihydro-1H-indole-2-carboxamide

• ChemBase ID: 409787
• Molecular Formular: C17H17N5O
• Molecular Mass: 307.34978
• Monoisotopic Mass: 307.14331019
• SMILES: c12n(ncc1CNC(=O)C1Nc3c(C1)cc(cc3)C)cccn2
• Canonical SMILES: O=C(C1Cc2c(N1)ccc(c2)C)NCc1cnn2c1nccc2
• InChI: InChI=1S/C17H17N5O/c1-11-3-4-14-12(7-11)8-15(21-14)17(23)19-9-13-10-20-22-6-2-5-18-16(13)22/h2-7,10,15,21H,8-9H2,1H3,(H,19,23)
• InChIKey: CLFACPYPBKCDJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}-2,3-dihydro-1H-indole-2-carboxamide
• IUPAC Traditional name: 5-methyl-N-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}-2,3-dihydro-1H-indole-2-carboxamide
• Synonyms: 5-methyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)indoline-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.879975
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5100689
• LogD (pH = 7.4): 1.510205
• Log P: 1.5102068
• Molar Refractivity: 99.4796 cm^3
• Polarizability: 32.727936 Å^3
• Polar Surface Area: 71.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.21
• LOG S: -2.93
• Polar Surface Area: 71.32 Å^2
• Rotatable Bonds: 3