1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

C24H24FN3O3S — CID 24743763

IUPAC1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(F)ccc43)ccc21
InChIInChI=1S/C24H24FN3O3S/c1-16(29)27-12-9-18-13-20(4-6-23(18)27)32(30,31)28-15-22(17-7-10-26(2)11-8-17)21-14-19(25)3-5-24(21)28/h3-7,13-15H,8-12H2,1-2H3
InChIKeyGOYJRNMUVVJYNU-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.65
Rot. Bonds3

About 1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 24743763) has the molecular formula C24H24FN3O3S and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID24743763
Molecular FormulaC24H24FN3O3S
Molecular Weight453.54 g/mol
Exact Mass453.15
IUPAC Name1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(F)ccc43)ccc21
InChIInChI=1S/C24H24FN3O3S/c1-16(29)27-12-9-18-13-20(4-6-23(18)27)32(30,31)28-15-22(17-7-10-26(2)11-8-17)21-14-19(25)3-5-24(21)28/h3-7,13-15H,8-12H2,1-2H3
InChIKeyGOYJRNMUVVJYNU-UHFFFAOYSA-N
XLogP3.65
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 24743763) is 1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(F)ccc43)ccc21.
What is the InChIKey of 1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is GOYJRNMUVVJYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3S/c1-16(29)27-12-9-18-13-20(4-6-23(18)27)32(30,31)28-15-22(17-7-10-26(2)11-8-17)21-14-19(25)3-5-24(21)28/h3-7,13-15H,8-12H2,1-2H3.
What are the key properties of 1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 453.54 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 24743763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).