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

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

5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-[(4R)-2-oxopiperidin-4-yl]ethynyl]thiophene-2-carboxamide (PubChem CID 146323198) has the molecular formula C19H15ClF3N3O3S and a molecular weight of 457.86 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-[(4R)-2-oxopiperidin-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-[(4R)-2-oxopiperidin-4-yl]ethynyl]thiophene-2-carboxamide
PubChem CID	146323198
Molecular Formula	C19H15ClF3N3O3S
Molecular Weight	457.86 g/mol
Exact Mass	457.05
IUPAC Name	5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-[(4R)-2-oxopiperidin-4-yl]ethynyl]thiophene-2-carboxamide
SMILES	O=C1C[C@H](C#Cc2cc(C(=O)Nc3cc(F)c(=O)n(CC(F)F)c3)sc2Cl)CCN1
InChI	InChI=1S/C19H15ClF3N3O3S/c20-17-11(2-1-10-3-4-24-16(27)5-10)6-14(30-17)18(28)25-12-7-13(21)19(29)26(8-12)9-15(22)23/h6-8,10,15H,3-5,9H2,(H,24,27)(H,25,28)/t10-/m1/s1
InChIKey	JXGOILKMSSNGHA-SNVBAGLBSA-N
XLogP	3.10
TPSA	80.20 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.86
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-[(4R)-2-oxopiperidin-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-[(4R)-2-oxopiperidin-4-yl]ethynyl]thiophene-2-carboxamide (CID 146323198) is 5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-[(4R)-2-oxopiperidin-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-[(4R)-2-oxopiperidin-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-[(4R)-2-oxopiperidin-4-yl]ethynyl]thiophene-2-carboxamide is O=C1C[C@H](C#Cc2cc(C(=O)Nc3cc(F)c(=O)n(CC(F)F)c3)sc2Cl)CCN1.

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

The InChIKey is JXGOILKMSSNGHA-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H15ClF3N3O3S/c20-17-11(2-1-10-3-4-24-16(27)5-10)6-14(30-17)18(28)25-12-7-13(21)19(29)26(8-12)9-15(22)23/h6-8,10,15H,3-5,9H2,(H,24,27)(H,25,28)/t10-/m1/s1.

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

5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-[(4R)-2-oxopiperidin-4-yl]ethynyl]thiophene-2-carboxamide has a molecular weight of 457.86 g/mol, XLogP of 3.10, 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-[(4R)-2-oxopiperidin-4-yl]ethynyl]thiophene-2-carboxamide is sourced from PubChem (CID 146323198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).