N-(1,2-oxazol-3-ylmethyl)-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 717415
• Molecular Formular: C16H17N5O
• Molecular Mass: 295.33908
• Monoisotopic Mass: 295.14331019
• SMILES: n1(c2c(cn1)C(NCc1nocc1)CCC2)c1ncccc1
• Canonical SMILES: c1ccc(nc1)n1ncc2c1CCCC2NCc1nocc1
• InChI: InChI=1S/C16H17N5O/c1-2-8-17-16(6-1)21-15-5-3-4-14(13(15)11-19-21)18-10-12-7-9-22-20-12/h1-2,6-9,11,14,18H,3-5,10H2
• InChIKey: VZJJFMALOIRETJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,2-oxazol-3-ylmethyl)-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N-(1,2-oxazol-3-ylmethyl)-1-(pyridin-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: N-(3-isoxazolylmethyl)-1-(2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.34783408
• LogD (pH = 7.4): 1.7519504
• Log P: 1.9175752
• Molar Refractivity: 83.57 cm^3
• Polarizability: 31.339258 Å^3
• Polar Surface Area: 68.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.76
• LOG S: -2.87
• Polar Surface Area: 68.77 Å^2
• Rotatable Bonds: 4