1-(3,4-difluorophenyl)-6-fluoro-3-(6-methylsulfinyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol

C25H21F3N2O3S — CID 156878887

IUPAC1-(3,4-difluorophenyl)-6-fluoro-3-(6-methylsulfinyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol
SMILESCS(=O)c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)c(F)c3)c3cc(F)cc(O)c23)cn1
InChIInChI=1S/C25H21F3N2O3S/c1-34(32)22-5-2-15(13-29-22)23-24-20(10-16(26)11-21(24)31)30(17-3-4-18(27)19(28)12-17)25(23)14-6-8-33-9-7-14/h2-5,10-14,31H,6-9H2,1H3
InChIKeyHPYHOEWITWOTBZ-UHFFFAOYSA-N
MW486.52 g/mol
LogP5.45
Rot. Bonds4

About 1-(3,4-difluorophenyl)-6-fluoro-3-(6-methylsulfinyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol

1-(3,4-difluorophenyl)-6-fluoro-3-(6-methylsulfinyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol (PubChem CID 156878887) has the molecular formula C25H21F3N2O3S and a molecular weight of 486.52 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-6-fluoro-3-(6-methylsulfinyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-6-fluoro-3-(6-methylsulfinyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol
PubChem CID156878887
Molecular FormulaC25H21F3N2O3S
Molecular Weight486.52 g/mol
Exact Mass486.12
IUPAC Name1-(3,4-difluorophenyl)-6-fluoro-3-(6-methylsulfinyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol
SMILESCS(=O)c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)c(F)c3)c3cc(F)cc(O)c23)cn1
InChIInChI=1S/C25H21F3N2O3S/c1-34(32)22-5-2-15(13-29-22)23-24-20(10-16(26)11-21(24)31)30(17-3-4-18(27)19(28)12-17)25(23)14-6-8-33-9-7-14/h2-5,10-14,31H,6-9H2,1H3
InChIKeyHPYHOEWITWOTBZ-UHFFFAOYSA-N
XLogP5.45
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-difluorophenyl)-6-fluoro-3-(6-methylsulfinyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol with MolForge

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Launch Full Analysis

Related Compounds

[1-Methyl-3-(1-methylpiperidin-4-yl)indol-6-yl] 2,6-difluorobenzenesulfonate
CID 118712405
(5-Fluoro-2-methyl-1-propylindol-3-yl)-[2-(4-fluorophenyl)sulfonyl-3-pyridinyl]methanol
CID 132048510
3-(6-Dimethylphosphanyl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol
CID 156878290
3-(6-Dimethylphosphoryl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol
CID 156878703
1-(3,4-Difluorophenyl)-6-fluoro-3-(3-methylsulfonylphenyl)-2-(oxan-4-yl)indol-4-ol
CID 156878718
4-[1-(3,4-Difluorophenyl)-6-fluoro-4-hydroxy-2-(oxan-4-yl)indol-3-yl]benzenesulfinamide
CID 156878720
1-(3,4-Difluorophenyl)-6-fluoro-3-(4-methylsulfonylphenyl)-2-(oxan-4-yl)indol-4-ol
CID 156879443
1-(3,4-Difluorophenyl)-6-fluoro-3-(6-methylsulfonyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol
CID 166780221
1-(3,4-Difluorophenyl)-6-fluoro-3-(3-methylsulfanylphenyl)-2-(oxan-4-yl)indol-4-ol
CID 166780255
5-(4-fluorophenyl)-1,4,4-trimethyl-1-(1,3-thiazol-5-yl)-3H-pyrano[4,3-b]indol-9-ol
CID 168754242
2-(4-Hydroxyphenyl)-3-methyl-1-(8-pyridin-2-ylsulfanyloctyl)indol-5-ol
CID 18679851
1-(Benzenesulfonyl)-3-[(4-pyridin-3-ylphenyl)methyl]indol-4-ol
CID 21904253

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-6-fluoro-3-(6-methylsulfinyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-6-fluoro-3-(6-methylsulfinyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol (CID 156878887) is 1-(3,4-difluorophenyl)-6-fluoro-3-(6-methylsulfinyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-6-fluoro-3-(6-methylsulfinyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-6-fluoro-3-(6-methylsulfinyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol is CS(=O)c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)c(F)c3)c3cc(F)cc(O)c23)cn1.
What is the InChIKey of 1-(3,4-difluorophenyl)-6-fluoro-3-(6-methylsulfinyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol?
The InChIKey is HPYHOEWITWOTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O3S/c1-34(32)22-5-2-15(13-29-22)23-24-20(10-16(26)11-21(24)31)30(17-3-4-18(27)19(28)12-17)25(23)14-6-8-33-9-7-14/h2-5,10-14,31H,6-9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-6-fluoro-3-(6-methylsulfinyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol?
1-(3,4-difluorophenyl)-6-fluoro-3-(6-methylsulfinyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol has a molecular weight of 486.52 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-6-fluoro-3-(6-methylsulfinyl-3-pyridinyl)-2-(oxan-4-yl)indol-4-ol is sourced from PubChem (CID 156878887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).