1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole

C24H24F3N3O2S — CID 59259356

IUPAC1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CC4)c3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C24H24F3N3O2S/c1-28-10-7-16(8-11-28)21-15-30(22-6-4-18(13-20(21)22)24(25,26)27)33(31,32)19-5-3-17-9-12-29(2)23(17)14-19/h3-7,13-15H,8-12H2,1-2H3
InChIKeyVPICSGPIGJHPRZ-UHFFFAOYSA-N
MW475.54 g/mol
LogP4.61
Rot. Bonds3

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

1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole (PubChem CID 59259356) has the molecular formula C24H24F3N3O2S and a molecular weight of 475.54 g/mol. Its IUPAC name is 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
PubChem CID59259356
Molecular FormulaC24H24F3N3O2S
Molecular Weight475.54 g/mol
Exact Mass475.15
IUPAC Name1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CC4)c3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C24H24F3N3O2S/c1-28-10-7-16(8-11-28)21-15-30(22-6-4-18(13-20(21)22)24(25,26)27)33(31,32)19-5-3-17-9-12-29(2)23(17)14-19/h3-7,13-15H,8-12H2,1-2H3
InChIKeyVPICSGPIGJHPRZ-UHFFFAOYSA-N
XLogP4.61
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?
The IUPAC name of 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole (CID 59259356) is 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole.
What is the SMILES notation for 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?
The canonical SMILES for 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole is CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CC4)c3ccc(C(F)(F)F)cc23)CC1.
What is the InChIKey of 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?
The InChIKey is VPICSGPIGJHPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2S/c1-28-10-7-16(8-11-28)21-15-30(22-6-4-18(13-20(21)22)24(25,26)27)33(31,32)19-5-3-17-9-12-29(2)23(17)14-19/h3-7,13-15H,8-12H2,1-2H3.
What are the key properties of 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?
1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole has a molecular weight of 475.54 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole is sourced from PubChem (CID 59259356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).