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

C25H26F3N3O2S — CID 59259498

IUPAC1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
SMILESCCN1CCc2ccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(C(F)(F)F)ccc43)cc21
InChIInChI=1S/C25H26F3N3O2S/c1-3-30-13-10-18-4-6-20(15-24(18)30)34(32,33)31-16-22(17-8-11-29(2)12-9-17)21-14-19(25(26,27)28)5-7-23(21)31/h4-8,14-16H,3,9-13H2,1-2H3
InChIKeyGKIVZEQCPFEPGH-UHFFFAOYSA-N
MW489.56 g/mol
LogP5.00
Rot. Bonds4

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

1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole (PubChem CID 59259498) has the molecular formula C25H26F3N3O2S and a molecular weight of 489.56 g/mol. Its IUPAC name is 1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
PubChem CID59259498
Molecular FormulaC25H26F3N3O2S
Molecular Weight489.56 g/mol
Exact Mass489.17
IUPAC Name1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
SMILESCCN1CCc2ccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(C(F)(F)F)ccc43)cc21
InChIInChI=1S/C25H26F3N3O2S/c1-3-30-13-10-18-4-6-20(15-24(18)30)34(32,33)31-16-22(17-8-11-29(2)12-9-17)21-14-19(25(26,27)28)5-7-23(21)31/h4-8,14-16H,3,9-13H2,1-2H3
InChIKeyGKIVZEQCPFEPGH-UHFFFAOYSA-N
XLogP5.00
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-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-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole (CID 59259498) is 1-[(1-ethyl-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-ethyl-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-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole is CCN1CCc2ccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(C(F)(F)F)ccc43)cc21.
What is the InChIKey of 1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?
The InChIKey is GKIVZEQCPFEPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O2S/c1-3-30-13-10-18-4-6-20(15-24(18)30)34(32,33)31-16-22(17-8-11-29(2)12-9-17)21-14-19(25(26,27)28)5-7-23(21)31/h4-8,14-16H,3,9-13H2,1-2H3.
What are the key properties of 1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?
1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole has a molecular weight of 489.56 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole is sourced from PubChem (CID 59259498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).