(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one;(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one

C121H143F5N30O14 — CID 157343852

About (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one;(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one

(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one;(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one (PubChem CID 157343852) has the molecular formula C121H143F5N30O14 and a molecular weight of 2336.66 g/mol. Its IUPAC name is (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one;(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one.

Molecular Properties

• Compound Name: (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one;(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one
• PubChem CID: 157343852
• Molecular Formula: C121H143F5N30O14
• Molecular Weight: 2336.66 g/mol
• Exact Mass: 2335.13
• IUPAC Name: (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one;(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one
• SMILES: CCCCCc1ccc([C@]2(C)CC(c3ccn(C(C)C)n3)=C(N3N=NCC3=O)C(=O)N2)c(F)c1.CCCCOc1ccc([C@]2(C)CC(c3ccn(C(C)C)n3)=C(N3N=NCC3=O)C(=O)N2)c(F)c1.CCCCOc1ccc([C@]2(C)CC(c3ccn(C4CC4)n3)=C(N3N=NCC3=O)C(=O)N2)c(F)c1.CCCCOc1ccc([C@]2(C)CC(c3ccn(C4CCC4)n3)=C(N3N=NCC3=O)C(=O)N2)c(F)c1.CCCCOc1ccc([C@]2(C)CC(c3ccn(CC)n3)=C(N3N=NCC3=O)C(=O)N2)c(F)c1
• InChI: InChI=1S/C25H29FN6O3.C25H31FN6O2.C24H27FN6O3.C24H29FN6O3.C23H27FN6O3/c1-3-4-12-35-17-8-9-19(20(26)13-17)25(2)14-18(21-10-11-31(29-21)16-6-5-7-16)23(24(34)28-25)32-22(33)15-27-30-32;1-5-6-7-8-17-9-10-19(20(26)13-17)25(4)14-18(21-11-12-31(29-21)16(2)3)23(24(34)28-25)32-22(33)15-27-30-32;1-3-4-11-34-16-7-8-18(19(25)12-16)24(2)13-17(20-9-10-30(28-20)15-5-6-15)22(23(33)27-24)31-21(32)14-26-29-31;1-5-6-11-34-16-7-8-18(19(25)12-16)24(4)13-17(20-9-10-30(28-20)15(2)3)22(23(33)27-24)31-21(32)14-26-29-31;1-4-6-11-33-15-7-8-17(18(24)12-15)23(3)13-16(19-9-10-29(5-2)27-19)21(22(32)26-23)30-20(31)14-25-28-30/h8-11,13,16H,3-7,12,14-15H2,1-2H3,(H,28,34);9-13,16H,5-8,14-15H2,1-4H3,(H,28,34);7-10,12,15H,3-6,11,13-14H2,1-2H3,(H,27,33);7-10,12,15H,5-6,11,13-14H2,1-4H3,(H,27,33);7-10,12H,4-6,11,13-14H2,1-3H3,(H,26,32)/t2*25-;2*24-;23-/m00000/s1
• InChIKey: BGSHNNBVSSSUNQ-IBXLHRQKSA-N
• XLogP: 20.58
• TPSA: 496.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 40
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2336.66
LogP ≤ 5	20.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

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-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one;(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one?

The IUPAC name of (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one;(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one (CID 157343852) is (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one;(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one.

What is the SMILES notation for (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one;(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one?

The canonical SMILES for (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one;(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one is CCCCCc1ccc([C@]2(C)CC(c3ccn(C(C)C)n3)=C(N3N=NCC3=O)C(=O)N2)c(F)c1.CCCCOc1ccc([C@]2(C)CC(c3ccn(C(C)C)n3)=C(N3N=NCC3=O)C(=O)N2)c(F)c1.CCCCOc1ccc([C@]2(C)CC(c3ccn(C4CC4)n3)=C(N3N=NCC3=O)C(=O)N2)c(F)c1.CCCCOc1ccc([C@]2(C)CC(c3ccn(C4CCC4)n3)=C(N3N=NCC3=O)C(=O)N2)c(F)c1.CCCCOc1ccc([C@]2(C)CC(c3ccn(CC)n3)=C(N3N=NCC3=O)C(=O)N2)c(F)c1.

What is the InChIKey of (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one;(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one?

The InChIKey is BGSHNNBVSSSUNQ-IBXLHRQKSA-N. The full InChI is InChI=1S/C25H29FN6O3.C25H31FN6O2.C24H27FN6O3.C24H29FN6O3.C23H27FN6O3/c1-3-4-12-35-17-8-9-19(20(26)13-17)25(2)14-18(21-10-11-31(29-21)16-6-5-7-16)23(24(34)28-25)32-22(33)15-27-30-32;1-5-6-7-8-17-9-10-19(20(26)13-17)25(4)14-18(21-11-12-31(29-21)16(2)3)23(24(34)28-25)32-22(33)15-27-30-32;1-3-4-11-34-16-7-8-18(19(25)12-16)24(2)13-17(20-9-10-30(28-20)15-5-6-15)22(23(33)27-24)31-21(32)14-26-29-31;1-5-6-11-34-16-7-8-18(19(25)12-16)24(4)13-17(20-9-10-30(28-20)15(2)3)22(23(33)27-24)31-21(32)14-26-29-31;1-4-6-11-33-15-7-8-17(18(24)12-15)23(3)13-16(19-9-10-29(5-2)27-19)21(22(32)26-23)30-20(31)14-25-28-30/h8-11,13,16H,3-7,12,14-15H2,1-2H3,(H,28,34);9-13,16H,5-8,14-15H2,1-4H3,(H,28,34);7-10,12,15H,3-6,11,13-14H2,1-2H3,(H,27,33);7-10,12,15H,5-6,11,13-14H2,1-4H3,(H,27,33);7-10,12H,4-6,11,13-14H2,1-3H3,(H,26,32)/t2*25-;2*24-;23-/m00000/s1.

What are the key properties of (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one;(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one?

(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one;(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one has a molecular weight of 2336.66 g/mol, XLogP of 20.58, 40 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclobutylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one;(2S)-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(5-oxo-4H-triazol-1-yl)-4-(1-propan-2-ylpyrazol-3-yl)-1,3-dihydropyridin-6-one is sourced from PubChem (CID 157343852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).