1-[2-[3-tert-butyl-1-[[(2R)-oxolan-2-yl]methyl]indazol-6-yl]-4-(trifluoromethyl)phenoxy]-2-methylpropan-2-ol

C27H33F3N2O3 — CID 162646389

About 1-[2-[3-tert-butyl-1-[[(2R)-oxolan-2-yl]methyl]indazol-6-yl]-4-(trifluoromethyl)phenoxy]-2-methylpropan-2-ol

1-[2-[3-tert-butyl-1-[[(2R)-oxolan-2-yl]methyl]indazol-6-yl]-4-(trifluoromethyl)phenoxy]-2-methylpropan-2-ol (PubChem CID 162646389) has the molecular formula C27H33F3N2O3 and a molecular weight of 490.57 g/mol. Its IUPAC name is 1-[2-[3-tert-butyl-1-[[(2R)-oxolan-2-yl]methyl]indazol-6-yl]-4-(trifluoromethyl)phenoxy]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[2-[3-tert-butyl-1-[[(2R)-oxolan-2-yl]methyl]indazol-6-yl]-4-(trifluoromethyl)phenoxy]-2-methylpropan-2-ol
• PubChem CID: 162646389
• Molecular Formula: C27H33F3N2O3
• Molecular Weight: 490.57 g/mol
• Exact Mass: 490.24
• IUPAC Name: 1-[2-[3-tert-butyl-1-[[(2R)-oxolan-2-yl]methyl]indazol-6-yl]-4-(trifluoromethyl)phenoxy]-2-methylpropan-2-ol
• SMILES: CC(C)(O)COc1ccc(C(F)(F)F)cc1-c1ccc2c(C(C)(C)C)nn(C[C@H]3CCCO3)c2c1
• InChI: InChI=1S/C27H33F3N2O3/c1-25(2,3)24-20-10-8-17(13-22(20)32(31-24)15-19-7-6-12-34-19)21-14-18(27(28,29)30)9-11-23(21)35-16-26(4,5)33/h8-11,13-14,19,33H,6-7,12,15-16H2,1-5H3/t19-/m1/s1
• InChIKey: DCMNFXOCFKDKOP-LJQANCHMSA-N
• XLogP: 6.35
• TPSA: 56.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.57
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-tert-butyl-1-[[(2R)-oxolan-2-yl]methyl]indazol-6-yl]-4-(trifluoromethyl)phenoxy]-2-methylpropan-2-ol?

The IUPAC name of 1-[2-[3-tert-butyl-1-[[(2R)-oxolan-2-yl]methyl]indazol-6-yl]-4-(trifluoromethyl)phenoxy]-2-methylpropan-2-ol (CID 162646389) is 1-[2-[3-tert-butyl-1-[[(2R)-oxolan-2-yl]methyl]indazol-6-yl]-4-(trifluoromethyl)phenoxy]-2-methylpropan-2-ol.

What is the SMILES notation for 1-[2-[3-tert-butyl-1-[[(2R)-oxolan-2-yl]methyl]indazol-6-yl]-4-(trifluoromethyl)phenoxy]-2-methylpropan-2-ol?

The canonical SMILES for 1-[2-[3-tert-butyl-1-[[(2R)-oxolan-2-yl]methyl]indazol-6-yl]-4-(trifluoromethyl)phenoxy]-2-methylpropan-2-ol is CC(C)(O)COc1ccc(C(F)(F)F)cc1-c1ccc2c(C(C)(C)C)nn(C[C@H]3CCCO3)c2c1.

What is the InChIKey of 1-[2-[3-tert-butyl-1-[[(2R)-oxolan-2-yl]methyl]indazol-6-yl]-4-(trifluoromethyl)phenoxy]-2-methylpropan-2-ol?

The InChIKey is DCMNFXOCFKDKOP-LJQANCHMSA-N. The full InChI is InChI=1S/C27H33F3N2O3/c1-25(2,3)24-20-10-8-17(13-22(20)32(31-24)15-19-7-6-12-34-19)21-14-18(27(28,29)30)9-11-23(21)35-16-26(4,5)33/h8-11,13-14,19,33H,6-7,12,15-16H2,1-5H3/t19-/m1/s1.

What are the key properties of 1-[2-[3-tert-butyl-1-[[(2R)-oxolan-2-yl]methyl]indazol-6-yl]-4-(trifluoromethyl)phenoxy]-2-methylpropan-2-ol?

1-[2-[3-tert-butyl-1-[[(2R)-oxolan-2-yl]methyl]indazol-6-yl]-4-(trifluoromethyl)phenoxy]-2-methylpropan-2-ol has a molecular weight of 490.57 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-tert-butyl-1-[[(2R)-oxolan-2-yl]methyl]indazol-6-yl]-4-(trifluoromethyl)phenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 162646389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).