8,8-dimethyl-5-[[1-(4-methylphenyl)indazol-5-yl]amino]-2-propan-2-yl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol

C30H32F3N3O2 — CID 59805955

About 8,8-dimethyl-5-[[1-(4-methylphenyl)indazol-5-yl]amino]-2-propan-2-yl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol

8,8-dimethyl-5-[[1-(4-methylphenyl)indazol-5-yl]amino]-2-propan-2-yl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol (PubChem CID 59805955) has the molecular formula C30H32F3N3O2 and a molecular weight of 523.60 g/mol. Its IUPAC name is 8,8-dimethyl-5-[[1-(4-methylphenyl)indazol-5-yl]amino]-2-propan-2-yl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol.

Molecular Properties

• Compound Name: 8,8-dimethyl-5-[[1-(4-methylphenyl)indazol-5-yl]amino]-2-propan-2-yl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol
• PubChem CID: 59805955
• Molecular Formula: C30H32F3N3O2
• Molecular Weight: 523.60 g/mol
• Exact Mass: 523.24
• IUPAC Name: 8,8-dimethyl-5-[[1-(4-methylphenyl)indazol-5-yl]amino]-2-propan-2-yl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol
• SMILES: Cc1ccc(-n2ncc3cc(NC4c5ccc(C(C)C)c(O)c5C(C)(C)CC4(O)C(F)(F)F)ccc32)cc1
• InChI: InChI=1S/C30H32F3N3O2/c1-17(2)22-11-12-23-25(26(22)37)28(4,5)16-29(38,30(31,32)33)27(23)35-20-8-13-24-19(14-20)15-34-36(24)21-9-6-18(3)7-10-21/h6-15,17,27,35,37-38H,16H2,1-5H3
• InChIKey: ZOBUNFVTVPDEJU-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 70.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.60
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-5-[[1-(4-methylphenyl)indazol-5-yl]amino]-2-propan-2-yl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol?

The IUPAC name of 8,8-dimethyl-5-[[1-(4-methylphenyl)indazol-5-yl]amino]-2-propan-2-yl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol (CID 59805955) is 8,8-dimethyl-5-[[1-(4-methylphenyl)indazol-5-yl]amino]-2-propan-2-yl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol.

What is the SMILES notation for 8,8-dimethyl-5-[[1-(4-methylphenyl)indazol-5-yl]amino]-2-propan-2-yl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol?

The canonical SMILES for 8,8-dimethyl-5-[[1-(4-methylphenyl)indazol-5-yl]amino]-2-propan-2-yl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol is Cc1ccc(-n2ncc3cc(NC4c5ccc(C(C)C)c(O)c5C(C)(C)CC4(O)C(F)(F)F)ccc32)cc1.

What is the InChIKey of 8,8-dimethyl-5-[[1-(4-methylphenyl)indazol-5-yl]amino]-2-propan-2-yl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol?

The InChIKey is ZOBUNFVTVPDEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N3O2/c1-17(2)22-11-12-23-25(26(22)37)28(4,5)16-29(38,30(31,32)33)27(23)35-20-8-13-24-19(14-20)15-34-36(24)21-9-6-18(3)7-10-21/h6-15,17,27,35,37-38H,16H2,1-5H3.

What are the key properties of 8,8-dimethyl-5-[[1-(4-methylphenyl)indazol-5-yl]amino]-2-propan-2-yl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol?

8,8-dimethyl-5-[[1-(4-methylphenyl)indazol-5-yl]amino]-2-propan-2-yl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol has a molecular weight of 523.60 g/mol, XLogP of 7.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8-dimethyl-5-[[1-(4-methylphenyl)indazol-5-yl]amino]-2-propan-2-yl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol is sourced from PubChem (CID 59805955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).