acetyl acetate;5-acetyl-4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile;2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile;N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile

C81H48Cl8F2N16O5S4 — CID 160975403

About acetyl acetate;5-acetyl-4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile;2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile;N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile

acetyl acetate;5-acetyl-4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile;2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile;N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile (PubChem CID 160975403) has the molecular formula C81H48Cl8F2N16O5S4 and a molecular weight of 1775.27 g/mol. Its IUPAC name is acetyl acetate;5-acetyl-4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile;2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile;N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile.

Molecular Properties

• Compound Name: acetyl acetate;5-acetyl-4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile;2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile;N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile
• PubChem CID: 160975403
• Molecular Formula: C81H48Cl8F2N16O5S4
• Molecular Weight: 1775.27 g/mol
• Exact Mass: 1770.04
• IUPAC Name: acetyl acetate;5-acetyl-4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile;2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile;N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile
• SMILES: CC(=O)Nc1cc(-c2sc(-c3ccn[nH]3)c(-c3ccc(Cl)cc3Cl)c2C#N)ccn1.CC(=O)OC(C)=O.CC(=O)c1sc(-c2ccnc(F)c2)c(C#N)c1-c1ccc(Cl)cc1Cl.N#Cc1c(-c2ccnc(F)c2)sc(-c2ccn[nH]2)c1-c1ccc(Cl)cc1Cl.N#Cc1c(-c2ccnc(N)c2)sc(-c2ccn[nH]2)c1-c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C21H13Cl2N5OS.C19H9Cl2FN4S.C19H11Cl2N5S.C18H9Cl2FN2OS.C4H6O3/c1-11(29)27-18-8-12(4-6-25-18)20-15(10-24)19(14-3-2-13(22)9-16(14)23)21(30-20)17-5-7-26-28-17;20-11-1-2-12(14(21)8-11)17-13(9-23)18(10-3-5-24-16(22)7-10)27-19(17)15-4-6-25-26-15;20-11-1-2-12(14(21)8-11)17-13(9-22)18(10-3-5-24-16(23)7-10)27-19(17)15-4-6-25-26-15;1-9(24)17-16(12-3-2-11(19)7-14(12)20)13(8-22)18(25-17)10-4-5-23-15(21)6-10;1-3(5)7-4(2)6/h2-9H,1H3,(H,26,28)(H,25,27,29);1-8H,(H,25,26);1-8H,(H2,23,24)(H,25,26);2-7H,1H3;1-2H3
• InChIKey: SYULETBGKIMSDI-UHFFFAOYSA-N
• XLogP: 23.91
• TPSA: 348.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1775.27
LogP ≤ 5	23.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;5-acetyl-4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile;2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile;N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile?

The IUPAC name of acetyl acetate;5-acetyl-4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile;2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile;N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile (CID 160975403) is acetyl acetate;5-acetyl-4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile;2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile;N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile.

What is the SMILES notation for acetyl acetate;5-acetyl-4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile;2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile;N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile?

The canonical SMILES for acetyl acetate;5-acetyl-4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile;2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile;N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile is CC(=O)Nc1cc(-c2sc(-c3ccn[nH]3)c(-c3ccc(Cl)cc3Cl)c2C#N)ccn1.CC(=O)OC(C)=O.CC(=O)c1sc(-c2ccnc(F)c2)c(C#N)c1-c1ccc(Cl)cc1Cl.N#Cc1c(-c2ccnc(F)c2)sc(-c2ccn[nH]2)c1-c1ccc(Cl)cc1Cl.N#Cc1c(-c2ccnc(N)c2)sc(-c2ccn[nH]2)c1-c1ccc(Cl)cc1Cl.

What is the InChIKey of acetyl acetate;5-acetyl-4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile;2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile;N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile?

The InChIKey is SYULETBGKIMSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N5OS.C19H9Cl2FN4S.C19H11Cl2N5S.C18H9Cl2FN2OS.C4H6O3/c1-11(29)27-18-8-12(4-6-25-18)20-15(10-24)19(14-3-2-13(22)9-16(14)23)21(30-20)17-5-7-26-28-17;20-11-1-2-12(14(21)8-11)17-13(9-23)18(10-3-5-24-16(22)7-10)27-19(17)15-4-6-25-26-15;20-11-1-2-12(14(21)8-11)17-13(9-22)18(10-3-5-24-16(23)7-10)27-19(17)15-4-6-25-26-15;1-9(24)17-16(12-3-2-11(19)7-14(12)20)13(8-22)18(25-17)10-4-5-23-15(21)6-10;1-3(5)7-4(2)6/h2-9H,1H3,(H,26,28)(H,25,27,29);1-8H,(H,25,26);1-8H,(H2,23,24)(H,25,26);2-7H,1H3;1-2H3.

What are the key properties of acetyl acetate;5-acetyl-4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile;2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile;N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile?

acetyl acetate;5-acetyl-4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile;2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile;N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile has a molecular weight of 1775.27 g/mol, XLogP of 23.91, 13 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl acetate;5-acetyl-4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)thiophene-3-carbonitrile;2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile;N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide;4-(2,4-dichlorophenyl)-2-(2-fluoro-4-pyridinyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 160975403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).