3-[[7-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

C25H24ClF3N4O3S — CID 138609802

About 3-[[7-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

3-[[7-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 138609802) has the molecular formula C25H24ClF3N4O3S and a molecular weight of 553.01 g/mol. Its IUPAC name is 3-[[7-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[7-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
• PubChem CID: 138609802
• Molecular Formula: C25H24ClF3N4O3S
• Molecular Weight: 553.01 g/mol
• Exact Mass: 552.12
• IUPAC Name: 3-[[7-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
• SMILES: Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CN(CC(F)(F)F)C4=O)sc23)c1OC1CCNCC1
• InChI: InChI=1S/C25H24ClF3N4O3S/c1-14-8-15(26)9-19(22(14)36-16-2-5-30-6-3-16)18-4-7-31-20-10-17(37-23(18)20)11-33-21(34)12-32(24(33)35)13-25(27,28)29/h4,7-10,16,30H,2-3,5-6,11-13H2,1H3
• InChIKey: WELFPZKBRNXASH-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.01
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[7-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?

The IUPAC name of 3-[[7-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 138609802) is 3-[[7-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

What is the SMILES notation for 3-[[7-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?

The canonical SMILES for 3-[[7-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CN(CC(F)(F)F)C4=O)sc23)c1OC1CCNCC1.

What is the InChIKey of 3-[[7-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?

The InChIKey is WELFPZKBRNXASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N4O3S/c1-14-8-15(26)9-19(22(14)36-16-2-5-30-6-3-16)18-4-7-31-20-10-17(37-23(18)20)11-33-21(34)12-32(24(33)35)13-25(27,28)29/h4,7-10,16,30H,2-3,5-6,11-13H2,1H3.

What are the key properties of 3-[[7-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?

3-[[7-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 553.01 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[7-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 138609802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).