5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide

C23H25ClF3N3O2S — CID 146323436

About 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide

5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide (PubChem CID 146323436) has the molecular formula C23H25ClF3N3O2S and a molecular weight of 499.99 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide
• PubChem CID: 146323436
• Molecular Formula: C23H25ClF3N3O2S
• Molecular Weight: 499.99 g/mol
• Exact Mass: 499.13
• IUPAC Name: 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide
• SMILES: CC1(C)CC(C#Cc2cc(C(=O)Nc3cc(F)c(=O)n(CC(F)F)c3)sc2Cl)CC(C)(C)N1
• InChI: InChI=1S/C23H25ClF3N3O2S/c1-22(2)9-13(10-23(3,4)29-22)5-6-14-7-17(33-19(14)24)20(31)28-15-8-16(25)21(32)30(11-15)12-18(26)27/h7-8,11,13,18,29H,9-10,12H2,1-4H3,(H,28,31)
• InChIKey: WAHVMYDKFFGYBZ-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 63.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.99
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide (CID 146323436) is 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide is CC1(C)CC(C#Cc2cc(C(=O)Nc3cc(F)c(=O)n(CC(F)F)c3)sc2Cl)CC(C)(C)N1.

What is the InChIKey of 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide?

The InChIKey is WAHVMYDKFFGYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF3N3O2S/c1-22(2)9-13(10-23(3,4)29-22)5-6-14-7-17(33-19(14)24)20(31)28-15-8-16(25)21(32)30(11-15)12-18(26)27/h7-8,11,13,18,29H,9-10,12H2,1-4H3,(H,28,31).

What are the key properties of 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide?

5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide has a molecular weight of 499.99 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide is sourced from PubChem (CID 146323436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).