1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone

C21H23N5O3S2 — CID 24526203

About 1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone

1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone (PubChem CID 24526203) has the molecular formula C21H23N5O3S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone.

Molecular Properties

• Compound Name: 1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
• PubChem CID: 24526203
• Molecular Formula: C21H23N5O3S2
• Molecular Weight: 457.58 g/mol
• Exact Mass: 457.12
• IUPAC Name: 1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
• SMILES: O=C(CSc1nnc2ccccn12)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
• InChI: InChI=1S/C21H23N5O3S2/c27-20(15-30-21-23-22-19-6-2-5-12-26(19)21)25-13-9-16-14-17(7-8-18(16)25)31(28,29)24-10-3-1-4-11-24/h2,5-8,12,14H,1,3-4,9-11,13,15H2
• InChIKey: STEBYAXFJFUQBX-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 87.88 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.58
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?

The IUPAC name of 1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone (CID 24526203) is 1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone.

What is the SMILES notation for 1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?

The canonical SMILES for 1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone is O=C(CSc1nnc2ccccn12)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21.

What is the InChIKey of 1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?

The InChIKey is STEBYAXFJFUQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S2/c27-20(15-30-21-23-22-19-6-2-5-12-26(19)21)25-13-9-16-14-17(7-8-18(16)25)31(28,29)24-10-3-1-4-11-24/h2,5-8,12,14H,1,3-4,9-11,13,15H2.

What are the key properties of 1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?

1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone has a molecular weight of 457.58 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone is sourced from PubChem (CID 24526203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).