5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol

C20H20F3N3O2 — CID 87538879

IUPAC5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol
SMILESCC1(C)CC(O)(C(F)(F)F)C(Nc2cccc3[nH]ncc23)c2cccc(O)c21
InChIInChI=1S/C20H20F3N3O2/c1-18(2)10-19(28,20(21,22)23)17(11-5-3-8-15(27)16(11)18)25-13-6-4-7-14-12(13)9-24-26-14/h3-9,17,25,27-28H,10H2,1-2H3,(H,24,26)
InChIKeyPUYRQBOPDYLMFY-UHFFFAOYSA-N
MW391.39 g/mol
LogP4.40
Rot. Bonds2

About 5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol

5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol (PubChem CID 87538879) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol.

Molecular Properties

Compound Name5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol
PubChem CID87538879
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol
SMILESCC1(C)CC(O)(C(F)(F)F)C(Nc2cccc3[nH]ncc23)c2cccc(O)c21
InChIInChI=1S/C20H20F3N3O2/c1-18(2)10-19(28,20(21,22)23)17(11-5-3-8-15(27)16(11)18)25-13-6-4-7-14-12(13)9-24-26-14/h3-9,17,25,27-28H,10H2,1-2H3,(H,24,26)
InChIKeyPUYRQBOPDYLMFY-UHFFFAOYSA-N
XLogP4.40
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 54.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol?
The IUPAC name of 5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol (CID 87538879) is 5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol.
What is the SMILES notation for 5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol?
The canonical SMILES for 5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol is CC1(C)CC(O)(C(F)(F)F)C(Nc2cccc3[nH]ncc23)c2cccc(O)c21.
What is the InChIKey of 5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol?
The InChIKey is PUYRQBOPDYLMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-18(2)10-19(28,20(21,22)23)17(11-5-3-8-15(27)16(11)18)25-13-6-4-7-14-12(13)9-24-26-14/h3-9,17,25,27-28H,10H2,1-2H3,(H,24,26).
What are the key properties of 5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol?
5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol has a molecular weight of 391.39 g/mol, XLogP of 4.40, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol is sourced from PubChem (CID 87538879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).