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

C20H19F4N3O2 — CID 11165738

IUPAC2-fluoro-5-(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)c2ccc(F)c(O)c21
InChIInChI=1S/C20H19F4N3O2/c1-18(2)9-19(29,20(22,23)24)17(10-6-7-12(21)16(28)15(10)18)26-13-4-3-5-14-11(13)8-25-27-14/h3-8,17,26,28-29H,9H2,1-2H3,(H,25,27)
InChIKeyGRTYVCZEPRYVSZ-UHFFFAOYSA-N
MW409.38 g/mol
LogP4.54
Rot. Bonds2

About 2-fluoro-5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol

2-fluoro-5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol (PubChem CID 11165738) has the molecular formula C20H19F4N3O2 and a molecular weight of 409.38 g/mol. Its IUPAC name is 2-fluoro-5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol.

Molecular Properties

Compound Name2-fluoro-5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol
PubChem CID11165738
Molecular FormulaC20H19F4N3O2
Molecular Weight409.38 g/mol
Exact Mass409.14
IUPAC Name2-fluoro-5-(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)c2ccc(F)c(O)c21
InChIInChI=1S/C20H19F4N3O2/c1-18(2)9-19(29,20(22,23)24)17(10-6-7-12(21)16(28)15(10)18)26-13-4-3-5-14-11(13)8-25-27-14/h3-8,17,26,28-29H,9H2,1-2H3,(H,25,27)
InChIKeyGRTYVCZEPRYVSZ-UHFFFAOYSA-N
XLogP4.54
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.38
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol?
The IUPAC name of 2-fluoro-5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol (CID 11165738) is 2-fluoro-5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol.
What is the SMILES notation for 2-fluoro-5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol?
The canonical SMILES for 2-fluoro-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)c2ccc(F)c(O)c21.
What is the InChIKey of 2-fluoro-5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol?
The InChIKey is GRTYVCZEPRYVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O2/c1-18(2)9-19(29,20(22,23)24)17(10-6-7-12(21)16(28)15(10)18)26-13-4-3-5-14-11(13)8-25-27-14/h3-8,17,26,28-29H,9H2,1-2H3,(H,25,27).
What are the key properties of 2-fluoro-5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol?
2-fluoro-5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol has a molecular weight of 409.38 g/mol, XLogP of 4.54, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1H-indazol-4-ylamino)-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol is sourced from PubChem (CID 11165738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).