(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one

C123H145F3N28O9S2 — CID 158812949

About (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one

(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one (PubChem CID 158812949) has the molecular formula C123H145F3N28O9S2 and a molecular weight of 2280.83 g/mol. Its IUPAC name is (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one.

Molecular Properties

• Compound Name: (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one
• PubChem CID: 158812949
• Molecular Formula: C123H145F3N28O9S2
• Molecular Weight: 2280.83 g/mol
• Exact Mass: 2279.11
• IUPAC Name: (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one
• SMILES: CCCCCOc1ccc([C@]2(C)CC(c3ccc(C4CC4)s3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCCOc1ccc([C@]2(C)CC(c3ncc(N(C)C)s3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCCc1ccc([C@]2(C)CC(c3ccn(CC4CC4)n3)=C(c3ncn[nH]3)C(=O)N2)c(F)c1.CCCCOc1ccc([C@]2(C)CC(c3ccn(C4CC4)n3)=C(c3ncn[nH]3)C(=O)N2)c(F)c1.CCCCOc1ccc([C@]2(C)CC(c3ccn(CC)n3)=C(c3ncn[nH]3)C(=O)N2)c(F)c1
• InChI: InChI=1S/C26H31FN6O.C26H30N4O2S.C24H27FN6O2.C24H30N6O2S.C23H27FN6O2/c1-3-4-5-6-17-9-10-20(21(27)13-17)26(2)14-19(22-11-12-33(32-22)15-18-7-8-18)23(25(34)30-26)24-28-16-29-31-24;1-3-4-5-14-32-19-10-8-18(9-11-19)26(2)15-20(22-13-12-21(33-22)17-6-7-17)23(25(31)29-26)24-27-16-28-30-24;1-3-4-11-33-16-7-8-18(19(25)12-16)24(2)13-17(20-9-10-31(30-20)15-5-6-15)21(23(32)28-24)22-26-14-27-29-22;1-5-6-7-12-32-17-10-8-16(9-11-17)24(2)13-18(23-25-14-19(33-23)30(3)4)20(22(31)28-24)21-26-15-27-29-21;1-4-6-11-32-15-7-8-17(18(24)12-15)23(3)13-16(19-9-10-30(5-2)29-19)20(22(31)27-23)21-25-14-26-28-21/h9-13,16,18H,3-8,14-15H2,1-2H3,(H,30,34)(H,28,29,31);8-13,16-17H,3-7,14-15H2,1-2H3,(H,29,31)(H,27,28,30);7-10,12,14-15H,3-6,11,13H2,1-2H3,(H,28,32)(H,26,27,29);8-11,14-15H,5-7,12-13H2,1-4H3,(H,28,31)(H,26,27,29);7-10,12,14H,4-6,11,13H2,1-3H3,(H,27,31)(H,25,26,28)/t2*26-;2*24-;23-/m00000/s1
• InChIKey: IUXKIUQKIILCDZ-SYAAOTGOSA-N
• XLogP: 22.22
• TPSA: 459.86 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	2280.83
LogP ≤ 5	22.22
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-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one?

The IUPAC name of (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one (CID 158812949) is (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one.

What is the SMILES notation for (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one?

The canonical SMILES for (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one is CCCCCOc1ccc([C@]2(C)CC(c3ccc(C4CC4)s3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCCOc1ccc([C@]2(C)CC(c3ncc(N(C)C)s3)=C(c3ncn[nH]3)C(=O)N2)cc1.CCCCCc1ccc([C@]2(C)CC(c3ccn(CC4CC4)n3)=C(c3ncn[nH]3)C(=O)N2)c(F)c1.CCCCOc1ccc([C@]2(C)CC(c3ccn(C4CC4)n3)=C(c3ncn[nH]3)C(=O)N2)c(F)c1.CCCCOc1ccc([C@]2(C)CC(c3ccn(CC)n3)=C(c3ncn[nH]3)C(=O)N2)c(F)c1.

What is the InChIKey of (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one?

The InChIKey is IUXKIUQKIILCDZ-SYAAOTGOSA-N. The full InChI is InChI=1S/C26H31FN6O.C26H30N4O2S.C24H27FN6O2.C24H30N6O2S.C23H27FN6O2/c1-3-4-5-6-17-9-10-20(21(27)13-17)26(2)14-19(22-11-12-33(32-22)15-18-7-8-18)23(25(34)30-26)24-28-16-29-31-24;1-3-4-5-14-32-19-10-8-18(9-11-19)26(2)15-20(22-13-12-21(33-22)17-6-7-17)23(25(31)29-26)24-27-16-28-30-24;1-3-4-11-33-16-7-8-18(19(25)12-16)24(2)13-17(20-9-10-31(30-20)15-5-6-15)21(23(32)28-24)22-26-14-27-29-22;1-5-6-7-12-32-17-10-8-16(9-11-17)24(2)13-18(23-25-14-19(33-23)30(3)4)20(22(31)28-24)21-26-15-27-29-21;1-4-6-11-32-15-7-8-17(18(24)12-15)23(3)13-16(19-9-10-30(5-2)29-19)20(22(31)27-23)21-25-14-26-28-21/h9-13,16,18H,3-8,14-15H2,1-2H3,(H,30,34)(H,28,29,31);8-13,16-17H,3-7,14-15H2,1-2H3,(H,29,31)(H,27,28,30);7-10,12,14-15H,3-6,11,13H2,1-2H3,(H,28,32)(H,26,27,29);8-11,14-15H,5-7,12-13H2,1-4H3,(H,28,31)(H,26,27,29);7-10,12,14H,4-6,11,13H2,1-3H3,(H,27,31)(H,25,26,28)/t2*26-;2*24-;23-/m00000/s1.

What are the key properties of (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one?

(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one has a molecular weight of 2280.83 g/mol, XLogP of 22.22, 43 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(1-ethylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-(2-fluoro-4-pentylphenyl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one;(2S)-4-[5-(dimethylamino)-1,3-thiazol-2-yl]-2-methyl-2-(4-pentoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one is sourced from PubChem (CID 158812949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).