4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-ethylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

C121H127N23O10S3 — CID 159946251

About 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-ethylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-ethylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (PubChem CID 159946251) has the molecular formula C121H127N23O10S3 and a molecular weight of 2159.70 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-ethylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-ethylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
• PubChem CID: 159946251
• Molecular Formula: C121H127N23O10S3
• Molecular Weight: 2159.70 g/mol
• Exact Mass: 2157.93
• IUPAC Name: 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-ethylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
• SMILES: CCCCCCOc1ccc(-c2cc(-c3ccn(C(C)C)c3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCCOc1ccc(-c2cc(-c3ccc(C4CC4)s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3cc4ccccc4s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccn(CC)n3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1
• InChI: InChI=1S/C26H31N5O2.C25H22N4O2S.C25H26N4O2S.C23H24N4O2S.C22H24N6O2/c1-4-5-6-7-14-33-21-10-8-19(9-11-21)23-15-22(20-12-13-31(16-20)18(2)3)24(26(32)29-23)25-27-17-28-30-25;1-2-3-12-31-18-10-8-16(9-11-18)20-14-19(22-13-17-6-4-5-7-21(17)32-22)23(25(30)28-20)24-26-15-27-29-24;1-2-3-4-13-31-18-9-7-16(8-10-18)20-14-19(22-12-11-21(32-22)17-5-6-17)23(25(30)28-20)24-26-15-27-29-24;1-3-5-12-29-16-8-6-15(7-9-16)19-13-18(20-11-10-17(4-2)30-20)21(23(28)26-19)22-24-14-25-27-22;1-3-5-12-30-16-8-6-15(7-9-16)19-13-17(18-10-11-28(4-2)27-18)20(22(29)25-19)21-23-14-24-26-21/h8-13,15-18H,4-7,14H2,1-3H3,(H,29,32)(H,27,28,30);4-11,13-15H,2-3,12H2,1H3,(H,28,30)(H,26,27,29);7-12,14-15,17H,2-6,13H2,1H3,(H,28,30)(H,26,27,29);6-11,13-14H,3-5,12H2,1-2H3,(H,26,28)(H,24,25,27);6-11,13-14H,3-5,12H2,1-2H3,(H,25,29)(H,23,24,26)
• InChIKey: OBNHZVVWEIQCGD-UHFFFAOYSA-N
• XLogP: 26.91
• TPSA: 441.05 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 42
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2159.70
LogP ≤ 5	26.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-ethylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?

The IUPAC name of 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-ethylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (CID 159946251) is 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-ethylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.

What is the SMILES notation for 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-ethylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?

The canonical SMILES for 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-ethylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is CCCCCCOc1ccc(-c2cc(-c3ccn(C(C)C)c3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCCOc1ccc(-c2cc(-c3ccc(C4CC4)s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3cc4ccccc4s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccn(CC)n3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.

What is the InChIKey of 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-ethylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?

The InChIKey is OBNHZVVWEIQCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2.C25H22N4O2S.C25H26N4O2S.C23H24N4O2S.C22H24N6O2/c1-4-5-6-7-14-33-21-10-8-19(9-11-21)23-15-22(20-12-13-31(16-20)18(2)3)24(26(32)29-23)25-27-17-28-30-25;1-2-3-12-31-18-10-8-16(9-11-18)20-14-19(22-13-17-6-4-5-7-21(17)32-22)23(25(30)28-20)24-26-15-27-29-24;1-2-3-4-13-31-18-9-7-16(8-10-18)20-14-19(22-12-11-21(32-22)17-5-6-17)23(25(30)28-20)24-26-15-27-29-24;1-3-5-12-29-16-8-6-15(7-9-16)19-13-18(20-11-10-17(4-2)30-20)21(23(28)26-19)22-24-14-25-27-22;1-3-5-12-30-16-8-6-15(7-9-16)19-13-17(18-10-11-28(4-2)27-18)20(22(29)25-19)21-23-14-24-26-21/h8-13,15-18H,4-7,14H2,1-3H3,(H,29,32)(H,27,28,30);4-11,13-15H,2-3,12H2,1H3,(H,28,30)(H,26,27,29);7-12,14-15,17H,2-6,13H2,1H3,(H,28,30)(H,26,27,29);6-11,13-14H,3-5,12H2,1-2H3,(H,26,28)(H,24,25,27);6-11,13-14H,3-5,12H2,1-2H3,(H,25,29)(H,23,24,26).

What are the key properties of 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-ethylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?

4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-ethylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one has a molecular weight of 2159.70 g/mol, XLogP of 26.91, 42 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-ethylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 159946251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).