(2S)-2-(4-butoxyphenyl)-4-[1-(cyclobutylmethyl)pyrazol-3-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclobutylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methyl-2-(4-pentylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one

C126H152N30O9 — CID 157111513

About (2S)-2-(4-butoxyphenyl)-4-[1-(cyclobutylmethyl)pyrazol-3-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclobutylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methyl-2-(4-pentylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one

(2S)-2-(4-butoxyphenyl)-4-[1-(cyclobutylmethyl)pyrazol-3-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclobutylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methyl-2-(4-pentylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one (PubChem CID 157111513) has the molecular formula C126H152N30O9 and a molecular weight of 2230.80 g/mol. Its IUPAC name is (2S)-2-(4-butoxyphenyl)-4-[1-(cyclobutylmethyl)pyrazol-3-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclobutylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methyl-2-(4-pentylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one.

Molecular Properties

• Compound Name: (2S)-2-(4-butoxyphenyl)-4-[1-(cyclobutylmethyl)pyrazol-3-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclobutylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methyl-2-(4-pentylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one
• PubChem CID: 157111513
• Molecular Formula: C126H152N30O9
• Molecular Weight: 2230.80 g/mol
• Exact Mass: 2229.24
• IUPAC Name: (2S)-2-(4-butoxyphenyl)-4-[1-(cyclobutylmethyl)pyrazol-3-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclobutylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methyl-2-(4-pentylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one
• SMILES: CCCCCc1ccc([C@]2(C)CC(c3ccn(CC4CC4)n3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCOc1ccc([C@]2(C)CC(c3ccn(CC4CCC4)n3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCOc1ccc([C@]2(C)CC(c3cnn(C4CC4)c3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCOc1ccc([C@]2(C)CC(c3cnn(C4CCC4)c3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCOc1ccc([C@]2(C)CC(c3cnn(CC4CC4)c3)=C(c3ncn[nH]3)C(=O)N2)cc1
• InChI: InChI=1S/C26H32N6O2.C26H32N6O.2C25H30N6O2.C24H28N6O2/c1-3-4-14-34-20-10-8-19(9-11-20)26(2)15-21(23(25(33)29-26)24-27-17-28-30-24)22-12-13-32(31-22)16-18-6-5-7-18;1-3-4-5-6-18-9-11-20(12-10-18)26(2)15-21(22-13-14-32(31-22)16-19-7-8-19)23(25(33)29-26)24-27-17-28-30-24;1-3-4-11-33-20-9-7-19(8-10-20)25(2)12-21(18-13-28-31(15-18)14-17-5-6-17)22(24(32)29-25)23-26-16-27-30-23;1-3-4-12-33-20-10-8-18(9-11-20)25(2)13-21(17-14-28-31(15-17)19-6-5-7-19)22(24(32)29-25)23-26-16-27-30-23;1-3-4-11-32-19-9-5-17(6-10-19)24(2)12-20(16-13-27-30(14-16)18-7-8-18)21(23(31)28-24)22-25-15-26-29-22/h8-13,17-18H,3-7,14-16H2,1-2H3,(H,29,33)(H,27,28,30);9-14,17,19H,3-8,15-16H2,1-2H3,(H,29,33)(H,27,28,30);7-10,13,15-17H,3-6,11-12,14H2,1-2H3,(H,29,32)(H,26,27,30);8-11,14-16,19H,3-7,12-13H2,1-2H3,(H,29,32)(H,26,27,30);5-6,9-10,13-15,18H,3-4,7-8,11-12H2,1-2H3,(H,28,31)(H,25,26,29)/t2*26-;2*25-;24-/m00000/s1
• InChIKey: AGXGHGDYXJFXQK-QZVPINKISA-N
• XLogP: 20.86
• TPSA: 479.37 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 43
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2230.80
LogP ≤ 5	20.86
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-butoxyphenyl)-4-[1-(cyclobutylmethyl)pyrazol-3-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclobutylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methyl-2-(4-pentylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one?

The IUPAC name of (2S)-2-(4-butoxyphenyl)-4-[1-(cyclobutylmethyl)pyrazol-3-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclobutylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methyl-2-(4-pentylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one (CID 157111513) is (2S)-2-(4-butoxyphenyl)-4-[1-(cyclobutylmethyl)pyrazol-3-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclobutylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methyl-2-(4-pentylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one.

What is the SMILES notation for (2S)-2-(4-butoxyphenyl)-4-[1-(cyclobutylmethyl)pyrazol-3-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclobutylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methyl-2-(4-pentylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one?

The canonical SMILES for (2S)-2-(4-butoxyphenyl)-4-[1-(cyclobutylmethyl)pyrazol-3-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclobutylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methyl-2-(4-pentylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one is CCCCCc1ccc([C@]2(C)CC(c3ccn(CC4CC4)n3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCOc1ccc([C@]2(C)CC(c3ccn(CC4CCC4)n3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCOc1ccc([C@]2(C)CC(c3cnn(C4CC4)c3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCOc1ccc([C@]2(C)CC(c3cnn(C4CCC4)c3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCOc1ccc([C@]2(C)CC(c3cnn(CC4CC4)c3)=C(c3ncn[nH]3)C(=O)N2)cc1.

What is the InChIKey of (2S)-2-(4-butoxyphenyl)-4-[1-(cyclobutylmethyl)pyrazol-3-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclobutylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methyl-2-(4-pentylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one?

The InChIKey is AGXGHGDYXJFXQK-QZVPINKISA-N. The full InChI is InChI=1S/C26H32N6O2.C26H32N6O.2C25H30N6O2.C24H28N6O2/c1-3-4-14-34-20-10-8-19(9-11-20)26(2)15-21(23(25(33)29-26)24-27-17-28-30-24)22-12-13-32(31-22)16-18-6-5-7-18;1-3-4-5-6-18-9-11-20(12-10-18)26(2)15-21(22-13-14-32(31-22)16-19-7-8-19)23(25(33)29-26)24-27-17-28-30-24;1-3-4-11-33-20-9-7-19(8-10-20)25(2)12-21(18-13-28-31(15-18)14-17-5-6-17)22(24(32)29-25)23-26-16-27-30-23;1-3-4-12-33-20-10-8-18(9-11-20)25(2)13-21(17-14-28-31(15-17)19-6-5-7-19)22(24(32)29-25)23-26-16-27-30-23;1-3-4-11-32-19-9-5-17(6-10-19)24(2)12-20(16-13-27-30(14-16)18-7-8-18)21(23(31)28-24)22-25-15-26-29-22/h8-13,17-18H,3-7,14-16H2,1-2H3,(H,29,33)(H,27,28,30);9-14,17,19H,3-8,15-16H2,1-2H3,(H,29,33)(H,27,28,30);7-10,13,15-17H,3-6,11-12,14H2,1-2H3,(H,29,32)(H,26,27,30);8-11,14-16,19H,3-7,12-13H2,1-2H3,(H,29,32)(H,26,27,30);5-6,9-10,13-15,18H,3-4,7-8,11-12H2,1-2H3,(H,28,31)(H,25,26,29)/t2*26-;2*25-;24-/m00000/s1.

What are the key properties of (2S)-2-(4-butoxyphenyl)-4-[1-(cyclobutylmethyl)pyrazol-3-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclobutylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methyl-2-(4-pentylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one?

(2S)-2-(4-butoxyphenyl)-4-[1-(cyclobutylmethyl)pyrazol-3-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclobutylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methyl-2-(4-pentylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one has a molecular weight of 2230.80 g/mol, XLogP of 20.86, 43 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(4-butoxyphenyl)-4-[1-(cyclobutylmethyl)pyrazol-3-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclobutylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methyl-2-(4-pentylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one is sourced from PubChem (CID 157111513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).