2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxy-2-fluorophenyl)-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxyphenyl)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;bis(2-(4-butoxyphenyl)-2-methyl-4-(5-methyl-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one);2-(4-butoxyphenyl)-2-methyl-4-(5-methylpyrimidin-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one

C143H166F2N34O12S — CID 158803405

About 2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxy-2-fluorophenyl)-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxyphenyl)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;bis(2-(4-butoxyphenyl)-2-methyl-4-(5-methyl-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one);2-(4-butoxyphenyl)-2-methyl-4-(5-methylpyrimidin-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one

2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxy-2-fluorophenyl)-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxyphenyl)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;bis(2-(4-butoxyphenyl)-2-methyl-4-(5-methyl-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one);2-(4-butoxyphenyl)-2-methyl-4-(5-methylpyrimidin-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one (PubChem CID 158803405) has the molecular formula C143H166F2N34O12S and a molecular weight of 2623.19 g/mol. Its IUPAC name is 2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxy-2-fluorophenyl)-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxyphenyl)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;bis(2-(4-butoxyphenyl)-2-methyl-4-(5-methyl-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one);2-(4-butoxyphenyl)-2-methyl-4-(5-methylpyrimidin-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one.

Molecular Properties

• Compound Name: 2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxy-2-fluorophenyl)-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxyphenyl)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;bis(2-(4-butoxyphenyl)-2-methyl-4-(5-methyl-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one);2-(4-butoxyphenyl)-2-methyl-4-(5-methylpyrimidin-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one
• PubChem CID: 158803405
• Molecular Formula: C143H166F2N34O12S
• Molecular Weight: 2623.19 g/mol
• Exact Mass: 2621.31
• IUPAC Name: 2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxy-2-fluorophenyl)-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxyphenyl)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;bis(2-(4-butoxyphenyl)-2-methyl-4-(5-methyl-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one);2-(4-butoxyphenyl)-2-methyl-4-(5-methylpyrimidin-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one
• SMILES: CCCCOc1ccc(C2(C)CC(c3ccc(C)cn3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCOc1ccc(C2(C)CC(c3ccc(C)cn3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCOc1ccc(C2(C)CC(c3ccn(C(C)C)n3)=C(c3ncn[nH]3)C(=O)N2)c(F)c1.CCCCOc1ccc(C2(C)CC(c3ccn(C4CCC4)n3)=C(c3ncn[nH]3)C(=O)N2)c(F)c1.CCCCOc1ccc(C2(C)CC(c3ncc(C)cn3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCOc1ccc(C2(C)CC(c3ncc(N(C)C)s3)=C(c3ncn[nH]3)C(=O)N2)cc1
• InChI: InChI=1S/C25H29FN6O2.C24H29FN6O2.2C24H27N5O2.C23H28N6O2S.C23H26N6O2/c1-3-4-12-34-17-8-9-19(20(26)13-17)25(2)14-18(21-10-11-32(31-21)16-6-5-7-16)22(24(33)29-25)23-27-15-28-30-23;1-5-6-11-33-16-7-8-18(19(25)12-16)24(4)13-17(20-9-10-31(30-20)15(2)3)21(23(32)28-24)22-26-14-27-29-22;2*1-4-5-12-31-18-9-7-17(8-10-18)24(3)13-19(20-11-6-16(2)14-25-20)21(23(30)28-24)22-26-15-27-29-22;1-5-6-11-31-16-9-7-15(8-10-16)23(2)12-17(22-24-13-18(32-22)29(3)4)19(21(30)27-23)20-25-14-26-28-20;1-4-5-10-31-17-8-6-16(7-9-17)23(3)11-18(20-24-12-15(2)13-25-20)19(22(30)28-23)21-26-14-27-29-21/h8-11,13,15-16H,3-7,12,14H2,1-2H3,(H,29,33)(H,27,28,30);7-10,12,14-15H,5-6,11,13H2,1-4H3,(H,28,32)(H,26,27,29);2*6-11,14-15H,4-5,12-13H2,1-3H3,(H,28,30)(H,26,27,29);7-10,13-14H,5-6,11-12H2,1-4H3,(H,27,30)(H,25,26,28);6-9,12-14H,4-5,10-11H2,1-3H3,(H,28,30)(H,26,27,29)
• InChIKey: ITTSLQIMTCECJQ-UHFFFAOYSA-N
• XLogP: 23.98
• TPSA: 582.73 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 45
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2623.19
LogP ≤ 5	23.98
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxy-2-fluorophenyl)-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxyphenyl)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;bis(2-(4-butoxyphenyl)-2-methyl-4-(5-methyl-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one);2-(4-butoxyphenyl)-2-methyl-4-(5-methylpyrimidin-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one?

The IUPAC name of 2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxy-2-fluorophenyl)-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxyphenyl)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;bis(2-(4-butoxyphenyl)-2-methyl-4-(5-methyl-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one);2-(4-butoxyphenyl)-2-methyl-4-(5-methylpyrimidin-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one (CID 158803405) is 2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxy-2-fluorophenyl)-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxyphenyl)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;bis(2-(4-butoxyphenyl)-2-methyl-4-(5-methyl-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one);2-(4-butoxyphenyl)-2-methyl-4-(5-methylpyrimidin-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one.

What is the SMILES notation for 2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxy-2-fluorophenyl)-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxyphenyl)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;bis(2-(4-butoxyphenyl)-2-methyl-4-(5-methyl-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one);2-(4-butoxyphenyl)-2-methyl-4-(5-methylpyrimidin-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one?

The canonical SMILES for 2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxy-2-fluorophenyl)-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxyphenyl)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;bis(2-(4-butoxyphenyl)-2-methyl-4-(5-methyl-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one);2-(4-butoxyphenyl)-2-methyl-4-(5-methylpyrimidin-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one is CCCCOc1ccc(C2(C)CC(c3ccc(C)cn3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCOc1ccc(C2(C)CC(c3ccc(C)cn3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCOc1ccc(C2(C)CC(c3ccn(C(C)C)n3)=C(c3ncn[nH]3)C(=O)N2)c(F)c1.CCCCOc1ccc(C2(C)CC(c3ccn(C4CCC4)n3)=C(c3ncn[nH]3)C(=O)N2)c(F)c1.CCCCOc1ccc(C2(C)CC(c3ncc(C)cn3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCOc1ccc(C2(C)CC(c3ncc(N(C)C)s3)=C(c3ncn[nH]3)C(=O)N2)cc1.

What is the InChIKey of 2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxy-2-fluorophenyl)-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxyphenyl)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;bis(2-(4-butoxyphenyl)-2-methyl-4-(5-methyl-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one);2-(4-butoxyphenyl)-2-methyl-4-(5-methylpyrimidin-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one?

The InChIKey is ITTSLQIMTCECJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2.C24H29FN6O2.2C24H27N5O2.C23H28N6O2S.C23H26N6O2/c1-3-4-12-34-17-8-9-19(20(26)13-17)25(2)14-18(21-10-11-32(31-21)16-6-5-7-16)22(24(33)29-25)23-27-15-28-30-23;1-5-6-11-33-16-7-8-18(19(25)12-16)24(4)13-17(20-9-10-31(30-20)15(2)3)21(23(32)28-24)22-26-14-27-29-22;2*1-4-5-12-31-18-9-7-17(8-10-18)24(3)13-19(20-11-6-16(2)14-25-20)21(23(30)28-24)22-26-15-27-29-22;1-5-6-11-31-16-9-7-15(8-10-16)23(2)12-17(22-24-13-18(32-22)29(3)4)19(21(30)27-23)20-25-14-26-28-20;1-4-5-10-31-17-8-6-16(7-9-17)23(3)11-18(20-24-12-15(2)13-25-20)19(22(30)28-23)21-26-14-27-29-21/h8-11,13,15-16H,3-7,12,14H2,1-2H3,(H,29,33)(H,27,28,30);7-10,12,14-15H,5-6,11,13H2,1-4H3,(H,28,32)(H,26,27,29);2*6-11,14-15H,4-5,12-13H2,1-3H3,(H,28,30)(H,26,27,29);7-10,13-14H,5-6,11-12H2,1-4H3,(H,27,30)(H,25,26,28);6-9,12-14H,4-5,10-11H2,1-3H3,(H,28,30)(H,26,27,29).

What are the key properties of 2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxy-2-fluorophenyl)-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxyphenyl)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;bis(2-(4-butoxyphenyl)-2-methyl-4-(5-methyl-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one);2-(4-butoxyphenyl)-2-methyl-4-(5-methylpyrimidin-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one?

2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxy-2-fluorophenyl)-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxyphenyl)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;bis(2-(4-butoxyphenyl)-2-methyl-4-(5-methyl-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one);2-(4-butoxyphenyl)-2-methyl-4-(5-methylpyrimidin-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one has a molecular weight of 2623.19 g/mol, XLogP of 23.98, 45 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxy-2-fluorophenyl)-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;2-(4-butoxyphenyl)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;bis(2-(4-butoxyphenyl)-2-methyl-4-(5-methyl-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one);2-(4-butoxyphenyl)-2-methyl-4-(5-methylpyrimidin-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one is sourced from PubChem (CID 158803405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).