5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole

C18H19FN4O2S — CID 59259474

IUPAC5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cn(C)cn3)c3ccc(F)cc23)CC1
InChIInChI=1S/C18H19FN4O2S/c1-21-7-5-13(6-8-21)16-10-23(17-4-3-14(19)9-15(16)17)26(24,25)18-11-22(2)12-20-18/h3-5,9-12H,6-8H2,1-2H3
InChIKeyLUYXCGCETITYBY-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.47
Rot. Bonds3

About 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole

5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole (PubChem CID 59259474) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole.

Molecular Properties

Compound Name5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole
PubChem CID59259474
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cn(C)cn3)c3ccc(F)cc23)CC1
InChIInChI=1S/C18H19FN4O2S/c1-21-7-5-13(6-8-21)16-10-23(17-4-3-14(19)9-15(16)17)26(24,25)18-11-22(2)12-20-18/h3-5,9-12H,6-8H2,1-2H3
InChIKeyLUYXCGCETITYBY-UHFFFAOYSA-N
XLogP2.47
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole?
The IUPAC name of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole (CID 59259474) is 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole.
What is the SMILES notation for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole?
The canonical SMILES for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole is CN1CC=C(c2cn(S(=O)(=O)c3cn(C)cn3)c3ccc(F)cc23)CC1.
What is the InChIKey of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole?
The InChIKey is LUYXCGCETITYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-21-7-5-13(6-8-21)16-10-23(17-4-3-14(19)9-15(16)17)26(24,25)18-11-22(2)12-20-18/h3-5,9-12H,6-8H2,1-2H3.
What are the key properties of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole?
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole has a molecular weight of 374.44 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole is sourced from PubChem (CID 59259474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).