(4-fluoro-3-{pyrazolo[1,5-a]pyridin-7-yl}phenyl)methanamine

• ChemBase ID: 335411
• Molecular Formular: C14H12FN3
• Molecular Mass: 241.2635832
• Monoisotopic Mass: 241.10152562
• SMILES: n12c(c3c(ccc(c3)CN)F)cccc1ccn2
• Canonical SMILES: NCc1ccc(c(c1)c1cccc2n1ncc2)F
• InChI: InChI=1S/C14H12FN3/c15-13-5-4-10(9-16)8-12(13)14-3-1-2-11-6-7-17-18(11)14/h1-8H,9,16H2
• InChIKey: WYWHIYOJDADENH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluoro-3-{pyrazolo[1,5-a]pyridin-7-yl}phenyl)methanamine
• IUPAC Traditional name: (4-fluoro-3-{pyrazolo[1,5-a]pyridin-7-yl}phenyl)methanamine
• Synonyms: (4-fluoro-3-pyrazolo[1,5-a]pyridin-7-ylbenzyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6357101
• LogD (pH = 7.4): 0.39767537
• Log P: 2.3388798
• Molar Refractivity: 79.6814 cm^3
• Polarizability: 27.938992 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.81
• LOG S: -2.35
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 2