2-[[4-benzyl-5-(2-fluoro-4-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

C160H142F4N36O8S7 — CID 159247555

About 2-[[4-benzyl-5-(2-fluoro-4-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

2-[[4-benzyl-5-(2-fluoro-4-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide (PubChem CID 159247555) has the molecular formula C160H142F4N36O8S7 and a molecular weight of 2997.60 g/mol. Its IUPAC name is 2-[[4-benzyl-5-(2-fluoro-4-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide.

Molecular Properties

• Compound Name: 2-[[4-benzyl-5-(2-fluoro-4-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
• PubChem CID: 159247555
• Molecular Formula: C160H142F4N36O8S7
• Molecular Weight: 2997.60 g/mol
• Exact Mass: 2994.98
• IUPAC Name: 2-[[4-benzyl-5-(2-fluoro-4-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
• SMILES: CC(Sc1nnc(-c2ccncc2)n1C(C)c1ccccc1)C(=O)Nc1ccccc1.CC(c1ccccc1)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1.CN(C)c1ccc(Cn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccncc2)cc1.COc1ccc(Cn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccncc2)cc1.O=C(CSc1nnc(-c2ccnc(F)c2)n1Cc1ccccc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccncc2)n1C(F)(F)c1ccccc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccncc2)n1Cc1ccc(F)cc1)Nc1ccccc1
• InChI: InChI=1S/C24H24N6OS.C24H23N5OS.C23H21N5O2S.C23H21N5OS.C22H17F2N5OS.2C22H18FN5OS/c1-29(2)21-10-8-18(9-11-21)16-30-23(19-12-14-25-15-13-19)27-28-24(30)32-17-22(31)26-20-6-4-3-5-7-20;1-17(19-9-5-3-6-10-19)29-22(20-13-15-25-16-14-20)27-28-24(29)31-18(2)23(30)26-21-11-7-4-8-12-21;1-30-20-9-7-17(8-10-20)15-28-22(18-11-13-24-14-12-18)26-27-23(28)31-16-21(29)25-19-5-3-2-4-6-19;1-17(18-8-4-2-5-9-18)28-22(19-12-14-24-15-13-19)26-27-23(28)30-16-21(29)25-20-10-6-3-7-11-20;23-22(24,17-7-3-1-4-8-17)29-20(16-11-13-25-14-12-16)27-28-21(29)31-15-19(30)26-18-9-5-2-6-10-18;23-19-13-17(11-12-24-19)21-26-27-22(28(21)14-16-7-3-1-4-8-16)30-15-20(29)25-18-9-5-2-6-10-18;23-18-8-6-16(7-9-18)14-28-21(17-10-12-24-13-11-17)26-27-22(28)30-15-20(29)25-19-4-2-1-3-5-19/h3-15H,16-17H2,1-2H3,(H,26,31);3-18H,1-2H3,(H,26,30);2-14H,15-16H2,1H3,(H,25,29);2-15,17H,16H2,1H3,(H,25,29);1-14H,15H2,(H,26,30);2*1-13H,14-15H2,(H,25,29)
• InChIKey: KUWHYJKVOWQXBG-UHFFFAOYSA-N
• XLogP: 31.25
• TPSA: 521.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 44
• Rotatable Bonds: 51
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2997.60
LogP ≤ 5	31.25
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-benzyl-5-(2-fluoro-4-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?

The IUPAC name of 2-[[4-benzyl-5-(2-fluoro-4-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide (CID 159247555) is 2-[[4-benzyl-5-(2-fluoro-4-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide.

What is the SMILES notation for 2-[[4-benzyl-5-(2-fluoro-4-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?

The canonical SMILES for 2-[[4-benzyl-5-(2-fluoro-4-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide is CC(Sc1nnc(-c2ccncc2)n1C(C)c1ccccc1)C(=O)Nc1ccccc1.CC(c1ccccc1)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1.CN(C)c1ccc(Cn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccncc2)cc1.COc1ccc(Cn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccncc2)cc1.O=C(CSc1nnc(-c2ccnc(F)c2)n1Cc1ccccc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccncc2)n1C(F)(F)c1ccccc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccncc2)n1Cc1ccc(F)cc1)Nc1ccccc1.

What is the InChIKey of 2-[[4-benzyl-5-(2-fluoro-4-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?

The InChIKey is KUWHYJKVOWQXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6OS.C24H23N5OS.C23H21N5O2S.C23H21N5OS.C22H17F2N5OS.2C22H18FN5OS/c1-29(2)21-10-8-18(9-11-21)16-30-23(19-12-14-25-15-13-19)27-28-24(30)32-17-22(31)26-20-6-4-3-5-7-20;1-17(19-9-5-3-6-10-19)29-22(20-13-15-25-16-14-20)27-28-24(29)31-18(2)23(30)26-21-11-7-4-8-12-21;1-30-20-9-7-17(8-10-20)15-28-22(18-11-13-24-14-12-18)26-27-23(28)31-16-21(29)25-19-5-3-2-4-6-19;1-17(18-8-4-2-5-9-18)28-22(19-12-14-24-15-13-19)26-27-23(28)30-16-21(29)25-20-10-6-3-7-11-20;23-22(24,17-7-3-1-4-8-17)29-20(16-11-13-25-14-12-16)27-28-21(29)31-15-19(30)26-18-9-5-2-6-10-18;23-19-13-17(11-12-24-19)21-26-27-22(28(21)14-16-7-3-1-4-8-16)30-15-20(29)25-18-9-5-2-6-10-18;23-18-8-6-16(7-9-18)14-28-21(17-10-12-24-13-11-17)26-27-22(28)30-15-20(29)25-19-4-2-1-3-5-19/h3-15H,16-17H2,1-2H3,(H,26,31);3-18H,1-2H3,(H,26,30);2-14H,15-16H2,1H3,(H,25,29);2-15,17H,16H2,1H3,(H,25,29);1-14H,15H2,(H,26,30);2*1-13H,14-15H2,(H,25,29).

What are the key properties of 2-[[4-benzyl-5-(2-fluoro-4-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?

2-[[4-benzyl-5-(2-fluoro-4-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide has a molecular weight of 2997.60 g/mol, XLogP of 31.25, 51 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-benzyl-5-(2-fluoro-4-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-methoxyphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide is sourced from PubChem (CID 159247555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).