5-[2-[[(3R)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1,2,4-trimethyl-N-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-5-[2-oxo-2-[[4-(trifluoromethyl)oxan-4-yl]amino]acetyl]pyrrole-3-carboxamide

C117H140F10N20O22S2 — CID 160712955

About 5-[2-[[(3R)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1,2,4-trimethyl-N-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-5-[2-oxo-2-[[4-(trifluoromethyl)oxan-4-yl]amino]acetyl]pyrrole-3-carboxamide

5-[2-[[(3R)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1,2,4-trimethyl-N-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-5-[2-oxo-2-[[4-(trifluoromethyl)oxan-4-yl]amino]acetyl]pyrrole-3-carboxamide (PubChem CID 160712955) has the molecular formula C117H140F10N20O22S2 and a molecular weight of 2432.64 g/mol. Its IUPAC name is 5-[2-[[(3R)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1,2,4-trimethyl-N-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-5-[2-oxo-2-[[4-(trifluoromethyl)oxan-4-yl]amino]acetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[[(3R)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1,2,4-trimethyl-N-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-5-[2-oxo-2-[[4-(trifluoromethyl)oxan-4-yl]amino]acetyl]pyrrole-3-carboxamide
• PubChem CID: 160712955
• Molecular Formula: C117H140F10N20O22S2
• Molecular Weight: 2432.64 g/mol
• Exact Mass: 2430.97
• IUPAC Name: 5-[2-[[(3R)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1,2,4-trimethyl-N-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-5-[2-oxo-2-[[4-(trifluoromethyl)oxan-4-yl]amino]acetyl]pyrrole-3-carboxamide
• SMILES: CC(=O)N1CCC[C@@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C1.CC(=O)N1CCC[C@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(F)(F)F)CCOCC3)n(C)c2C)cc(C(F)(F)F)n1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)n(C)c2C)ccc1F
• InChI: InChI=1S/2C24H29FN4O4.C23H24F6N4O4.2C23H29FN4O5S/c2*1-13-11-17(8-9-19(13)25)26-23(32)20-14(2)21(28(5)15(20)3)22(31)24(33)27-18-7-6-10-29(12-18)16(4)30;1-11-9-14(10-15(30-11)22(24,25)26)31-19(35)16-12(2)17(33(4)13(16)3)18(34)20(36)32-21(23(27,28)29)5-7-37-8-6-21;2*1-13-11-16(8-9-18(13)24)25-22(30)19-14(2)20(27(4)15(19)3)21(29)23(31)26-17-7-6-10-28(12-17)34(5,32)33/h2*8-9,11,18H,6-7,10,12H2,1-5H3,(H,26,32)(H,27,33);9-10H,5-8H2,1-4H3,(H,32,36)(H,30,31,35);2*8-9,11,17H,6-7,10,12H2,1-5H3,(H,25,30)(H,26,31)/t2*18-;;2*17-/m10.10/s1
• InChIKey: RSCICYFLCXAAMR-NVWDGBQMSA-N
• XLogP: 13.46
• TPSA: 538.50 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2432.64
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[(3R)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1,2,4-trimethyl-N-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-5-[2-oxo-2-[[4-(trifluoromethyl)oxan-4-yl]amino]acetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-[[(3R)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1,2,4-trimethyl-N-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-5-[2-oxo-2-[[4-(trifluoromethyl)oxan-4-yl]amino]acetyl]pyrrole-3-carboxamide (CID 160712955) is 5-[2-[[(3R)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1,2,4-trimethyl-N-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-5-[2-oxo-2-[[4-(trifluoromethyl)oxan-4-yl]amino]acetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-[[(3R)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1,2,4-trimethyl-N-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-5-[2-oxo-2-[[4-(trifluoromethyl)oxan-4-yl]amino]acetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-[[(3R)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1,2,4-trimethyl-N-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-5-[2-oxo-2-[[4-(trifluoromethyl)oxan-4-yl]amino]acetyl]pyrrole-3-carboxamide is CC(=O)N1CCC[C@@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C1.CC(=O)N1CCC[C@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(F)(F)F)CCOCC3)n(C)c2C)cc(C(F)(F)F)n1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)n(C)c2C)ccc1F.

What is the InChIKey of 5-[2-[[(3R)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1,2,4-trimethyl-N-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-5-[2-oxo-2-[[4-(trifluoromethyl)oxan-4-yl]amino]acetyl]pyrrole-3-carboxamide?

The InChIKey is RSCICYFLCXAAMR-NVWDGBQMSA-N. The full InChI is InChI=1S/2C24H29FN4O4.C23H24F6N4O4.2C23H29FN4O5S/c2*1-13-11-17(8-9-19(13)25)26-23(32)20-14(2)21(28(5)15(20)3)22(31)24(33)27-18-7-6-10-29(12-18)16(4)30;1-11-9-14(10-15(30-11)22(24,25)26)31-19(35)16-12(2)17(33(4)13(16)3)18(34)20(36)32-21(23(27,28)29)5-7-37-8-6-21;2*1-13-11-16(8-9-18(13)24)25-22(30)19-14(2)20(27(4)15(19)3)21(29)23(31)26-17-7-6-10-28(12-17)34(5,32)33/h2*8-9,11,18H,6-7,10,12H2,1-5H3,(H,26,32)(H,27,33);9-10H,5-8H2,1-4H3,(H,32,36)(H,30,31,35);2*8-9,11,17H,6-7,10,12H2,1-5H3,(H,25,30)(H,26,31)/t2*18-;;2*17-/m10.10/s1.

What are the key properties of 5-[2-[[(3R)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1,2,4-trimethyl-N-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-5-[2-oxo-2-[[4-(trifluoromethyl)oxan-4-yl]amino]acetyl]pyrrole-3-carboxamide?

5-[2-[[(3R)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1,2,4-trimethyl-N-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-5-[2-oxo-2-[[4-(trifluoromethyl)oxan-4-yl]amino]acetyl]pyrrole-3-carboxamide has a molecular weight of 2432.64 g/mol, XLogP of 13.46, 27 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[(3R)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpiperidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1,2,4-trimethyl-N-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-5-[2-oxo-2-[[4-(trifluoromethyl)oxan-4-yl]amino]acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 160712955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).