1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone

C25H28N4O2S — CID 110237326

About 1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone

1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone (PubChem CID 110237326) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is 1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
• PubChem CID: 110237326
• Molecular Formula: C25H28N4O2S
• Molecular Weight: 448.59 g/mol
• Exact Mass: 448.19
• IUPAC Name: 1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
• SMILES: CC(=O)N1CSCC1C(=O)N1CCCC(c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1
• InChI: InChI=1S/C25H28N4O2S/c1-16-5-6-21-20(12-16)23(18-7-9-26-10-8-18)24(27-21)19-4-3-11-28(13-19)25(31)22-14-32-15-29(22)17(2)30/h5-10,12,19,22,27H,3-4,11,13-15H2,1-2H3
• InChIKey: DHPLQUBERNZSNX-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.59
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?

The IUPAC name of 1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone (CID 110237326) is 1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone.

What is the SMILES notation for 1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?

The canonical SMILES for 1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone is CC(=O)N1CSCC1C(=O)N1CCCC(c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1.

What is the InChIKey of 1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?

The InChIKey is DHPLQUBERNZSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-16-5-6-21-20(12-16)23(18-7-9-26-10-8-18)24(27-21)19-4-3-11-28(13-19)25(31)22-14-32-15-29(22)17(2)30/h5-10,12,19,22,27H,3-4,11,13-15H2,1-2H3.

What are the key properties of 1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?

1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 448.59 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 110237326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).