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

C25H24F3N3O3S — CID 24743764

IUPAC1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(C(F)(F)F)ccc43)ccc21
InChIInChI=1S/C25H24F3N3O3S/c1-16(32)30-12-9-18-13-20(4-6-23(18)30)35(33,34)31-15-22(17-7-10-29(2)11-8-17)21-14-19(25(26,27)28)3-5-24(21)31/h3-7,13-15H,8-12H2,1-2H3
InChIKeySCVGHKINGPYTQR-UHFFFAOYSA-N
MW503.55 g/mol
LogP4.53
Rot. Bonds3

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

1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 24743764) has the molecular formula C25H24F3N3O3S and a molecular weight of 503.55 g/mol. Its IUPAC name is 1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID24743764
Molecular FormulaC25H24F3N3O3S
Molecular Weight503.55 g/mol
Exact Mass503.15
IUPAC Name1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(C(F)(F)F)ccc43)ccc21
InChIInChI=1S/C25H24F3N3O3S/c1-16(32)30-12-9-18-13-20(4-6-23(18)30)35(33,34)31-15-22(17-7-10-29(2)11-8-17)21-14-19(25(26,27)28)3-5-24(21)31/h3-7,13-15H,8-12H2,1-2H3
InChIKeySCVGHKINGPYTQR-UHFFFAOYSA-N
XLogP4.53
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 24743764) is 1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(C(F)(F)F)ccc43)ccc21.
What is the InChIKey of 1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is SCVGHKINGPYTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O3S/c1-16(32)30-12-9-18-13-20(4-6-23(18)30)35(33,34)31-15-22(17-7-10-29(2)11-8-17)21-14-19(25(26,27)28)3-5-24(21)31/h3-7,13-15H,8-12H2,1-2H3.
What are the key properties of 1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 503.55 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 24743764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).