(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-(2-fluoro-4-hexoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-[1-[(E)-hex-3-enyl]pyrazol-4-yl]-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide

C139H177FN20O22S5 — CID 158031866

About (2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-(2-fluoro-4-hexoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-[1-[(E)-hex-3-enyl]pyrazol-4-yl]-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide

(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-(2-fluoro-4-hexoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-[1-[(E)-hex-3-enyl]pyrazol-4-yl]-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide (PubChem CID 158031866) has the molecular formula C139H177FN20O22S5 and a molecular weight of 2659.40 g/mol. Its IUPAC name is (2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-(2-fluoro-4-hexoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-[1-[(E)-hex-3-enyl]pyrazol-4-yl]-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide.

Molecular Properties

• Compound Name: (2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-(2-fluoro-4-hexoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-[1-[(E)-hex-3-enyl]pyrazol-4-yl]-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide
• PubChem CID: 158031866
• Molecular Formula: C139H177FN20O22S5
• Molecular Weight: 2659.40 g/mol
• Exact Mass: 2657.19
• IUPAC Name: (2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-(2-fluoro-4-hexoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-[1-[(E)-hex-3-enyl]pyrazol-4-yl]-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide
• SMILES: CC/C=C/CCn1cc([C@]2(C)CC(c3ccc4c(c3)CCCC4)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cn1.CCCCCCOc1ccc([C@]2(C)CC(c3ccn(C4CC4)n3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)c(F)c1.CCCCCCn1cc([C@]2(C)CC(c3ccc(C)cc3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cn1.CCCCCCn1cc([C@]2(C)CC(c3ccc4c(c3)CCCC4)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cn1.CCCCOc1ccc([C@]2(C)CC(c3ccn(CC4CC4)n3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cc1
• InChI: InChI=1S/C29H38N4O4S.C29H36N4O4S.C28H35FN4O5S.C27H34N4O5S.C26H34N4O4S/c2*1-3-4-5-8-15-33-19-23(18-30-33)29(2)17-25(22-12-11-20-9-6-7-10-21(20)16-22)26(27(34)31-29)28(35)32-38(36,37)24-13-14-24;1-3-4-5-6-15-38-19-9-12-22(23(29)16-19)28(2)17-21(24-13-14-33(31-24)18-7-8-18)25(26(34)30-28)27(35)32-39(36,37)20-10-11-20;1-3-4-15-36-20-9-7-19(8-10-20)27(2)16-22(23-13-14-31(29-23)17-18-5-6-18)24(25(32)28-27)26(33)30-37(34,35)21-11-12-21;1-4-5-6-7-14-30-17-20(16-27-30)26(3)15-22(19-10-8-18(2)9-11-19)23(24(31)28-26)25(32)29-35(33,34)21-12-13-21/h11-12,16,18-19,24H,3-10,13-15,17H2,1-2H3,(H,31,34)(H,32,35);4-5,11-12,16,18-19,24H,3,6-10,13-15,17H2,1-2H3,(H,31,34)(H,32,35);9,12-14,16,18,20H,3-8,10-11,15,17H2,1-2H3,(H,30,34)(H,32,35);7-10,13-14,18,21H,3-6,11-12,15-17H2,1-2H3,(H,28,32)(H,30,33);8-11,16-17,21H,4-7,12-15H2,1-3H3,(H,28,31)(H,29,32)/b;5-4+;;;/t2*29-;28-;27-;26-/m00000/s1
• InChIKey: FHGUARLHPIVAEN-WMHGNBGJSA-N
• XLogP: 19.01
• TPSA: 569.26 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 52
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2659.40
LogP ≤ 5	19.01
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-(2-fluoro-4-hexoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-[1-[(E)-hex-3-enyl]pyrazol-4-yl]-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide?

The IUPAC name of (2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-(2-fluoro-4-hexoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-[1-[(E)-hex-3-enyl]pyrazol-4-yl]-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide (CID 158031866) is (2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-(2-fluoro-4-hexoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-[1-[(E)-hex-3-enyl]pyrazol-4-yl]-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide.

What is the SMILES notation for (2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-(2-fluoro-4-hexoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-[1-[(E)-hex-3-enyl]pyrazol-4-yl]-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide?

The canonical SMILES for (2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-(2-fluoro-4-hexoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-[1-[(E)-hex-3-enyl]pyrazol-4-yl]-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide is CC/C=C/CCn1cc([C@]2(C)CC(c3ccc4c(c3)CCCC4)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cn1.CCCCCCOc1ccc([C@]2(C)CC(c3ccn(C4CC4)n3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)c(F)c1.CCCCCCn1cc([C@]2(C)CC(c3ccc(C)cc3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cn1.CCCCCCn1cc([C@]2(C)CC(c3ccc4c(c3)CCCC4)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cn1.CCCCOc1ccc([C@]2(C)CC(c3ccn(CC4CC4)n3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cc1.

What is the InChIKey of (2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-(2-fluoro-4-hexoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-[1-[(E)-hex-3-enyl]pyrazol-4-yl]-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide?

The InChIKey is FHGUARLHPIVAEN-WMHGNBGJSA-N. The full InChI is InChI=1S/C29H38N4O4S.C29H36N4O4S.C28H35FN4O5S.C27H34N4O5S.C26H34N4O4S/c2*1-3-4-5-8-15-33-19-23(18-30-33)29(2)17-25(22-12-11-20-9-6-7-10-21(20)16-22)26(27(34)31-29)28(35)32-38(36,37)24-13-14-24;1-3-4-5-6-15-38-19-9-12-22(23(29)16-19)28(2)17-21(24-13-14-33(31-24)18-7-8-18)25(26(34)30-28)27(35)32-39(36,37)20-10-11-20;1-3-4-15-36-20-9-7-19(8-10-20)27(2)16-22(23-13-14-31(29-23)17-18-5-6-18)24(25(32)28-27)26(33)30-37(34,35)21-11-12-21;1-4-5-6-7-14-30-17-20(16-27-30)26(3)15-22(19-10-8-18(2)9-11-19)23(24(31)28-26)25(32)29-35(33,34)21-12-13-21/h11-12,16,18-19,24H,3-10,13-15,17H2,1-2H3,(H,31,34)(H,32,35);4-5,11-12,16,18-19,24H,3,6-10,13-15,17H2,1-2H3,(H,31,34)(H,32,35);9,12-14,16,18,20H,3-8,10-11,15,17H2,1-2H3,(H,30,34)(H,32,35);7-10,13-14,18,21H,3-6,11-12,15-17H2,1-2H3,(H,28,32)(H,30,33);8-11,16-17,21H,4-7,12-15H2,1-3H3,(H,28,31)(H,29,32)/b;5-4+;;;/t2*29-;28-;27-;26-/m00000/s1.

What are the key properties of (2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-(2-fluoro-4-hexoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-[1-[(E)-hex-3-enyl]pyrazol-4-yl]-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide?

(2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-(2-fluoro-4-hexoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-[1-[(E)-hex-3-enyl]pyrazol-4-yl]-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide has a molecular weight of 2659.40 g/mol, XLogP of 19.01, 52 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(4-butoxyphenyl)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-(1-cyclopropylpyrazol-3-yl)-N-cyclopropylsulfonyl-2-(2-fluoro-4-hexoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-[1-[(E)-hex-3-enyl]pyrazol-4-yl]-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(1-hexylpyrazol-4-yl)-2-methyl-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydropyridine-5-carboxamide is sourced from PubChem (CID 158031866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).