N-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide

C22H15ClF3N3O3S — CID 167634129

IUPACN-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C#Cc2cc(C(=O)Cc3cc(F)c(=O)n(CC(F)F)c3)sc2Cl)ccn1
InChIInChI=1S/C22H15ClF3N3O3S/c1-12(30)28-20-8-13(4-5-27-20)2-3-15-9-18(33-21(15)23)17(31)7-14-6-16(24)22(32)29(10-14)11-19(25)26/h4-6,8-10,19H,7,11H2,1H3,(H,27,28,30)
InChIKeyOFMMAGXSZAXEHL-UHFFFAOYSA-N
MW493.89 g/mol
LogP4.15
Rot. Bonds6

About N-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide

N-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide (PubChem CID 167634129) has the molecular formula C22H15ClF3N3O3S and a molecular weight of 493.89 g/mol. Its IUPAC name is N-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide
PubChem CID167634129
Molecular FormulaC22H15ClF3N3O3S
Molecular Weight493.89 g/mol
Exact Mass493.05
IUPAC NameN-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C#Cc2cc(C(=O)Cc3cc(F)c(=O)n(CC(F)F)c3)sc2Cl)ccn1
InChIInChI=1S/C22H15ClF3N3O3S/c1-12(30)28-20-8-13(4-5-27-20)2-3-15-9-18(33-21(15)23)17(31)7-14-6-16(24)22(32)29(10-14)11-19(25)26/h4-6,8-10,19H,7,11H2,1H3,(H,27,28,30)
InChIKeyOFMMAGXSZAXEHL-UHFFFAOYSA-N
XLogP4.15
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.89
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[5-chloro-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)ethynyl]thiophen-2-yl]-2-oxoethyl]-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one
CID 167570659
5-[2-[5-chloro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethynyl]thiophen-2-yl]-2-oxoethyl]-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one
CID 167630190
5-[2-[5-chloro-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethynyl]thiophen-2-yl]-2-oxoethyl]-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one
CID 167677314
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-[2-(1,3-oxazol-2-yl)-4-pyridinyl]ethynyl]thiophene-2-carboxamide
CID 146323146
5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one
CID 167579495
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(1-methyl-2-oxopiperidin-4-yl)ethynyl]thiophene-2-carboxamide
CID 146323189
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methylsulfanylthiophene-2-carboxamide
CID 146323308
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(2-pyridin-4-ylethynyl)-1,3,4-oxadiazole-2-carboxamide
CID 146323512
N-[4-[2-[3-amino-4-(2-hydroxyethyl)-2-pyridinyl]ethynyl]-2-pyridinyl]acetamide
CID 121437540
5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide
CID 167637338
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide
CID 167584774
2-chloro-3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102821048

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide (CID 167634129) is N-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(C#Cc2cc(C(=O)Cc3cc(F)c(=O)n(CC(F)F)c3)sc2Cl)ccn1.
What is the InChIKey of N-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide?
The InChIKey is OFMMAGXSZAXEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O3S/c1-12(30)28-20-8-13(4-5-27-20)2-3-15-9-18(33-21(15)23)17(31)7-14-6-16(24)22(32)29(10-14)11-19(25)26/h4-6,8-10,19H,7,11H2,1H3,(H,27,28,30).
What are the key properties of N-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide?
N-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide has a molecular weight of 493.89 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 167634129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).