N-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 493303
• Molecular Formular: C21H21N5OS
• Molecular Mass: 391.48934
• Monoisotopic Mass: 391.14668132
• SMILES: n1(c2c(cn1)C(NCc1nc(oc1C)c1sccc1)CCC2)c1ncccc1
• Canonical SMILES: Cc1oc(nc1CNC1CCCc2c1cnn2c1ccccn1)c1cccs1
• InChI: InChI=1S/C21H21N5OS/c1-14-17(25-21(27-14)19-8-5-11-28-19)13-23-16-6-4-7-18-15(16)12-24-26(18)20-9-2-3-10-22-20/h2-3,5,8-12,16,23H,4,6-7,13H2,1H3
• InChIKey: MRVMAGQEWARYNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1-(pyridin-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: N-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-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): 1.6057225
• LogD (pH = 7.4): 3.193234
• Log P: 3.4964008
• Molar Refractivity: 119.9786 cm^3
• Polarizability: 42.04746 Å^3
• Polar Surface Area: 68.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.13
• LOG S: -5.08
• Polar Surface Area: 68.77 Å^2
• Rotatable Bonds: 5