N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

C115H138F5N17O21 — CID 161422392

About N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 161422392) has the molecular formula C115H138F5N17O21 and a molecular weight of 2189.46 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 161422392
• Molecular Formula: C115H138F5N17O21
• Molecular Weight: 2189.46 g/mol
• Exact Mass: 2188.02
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCC3(O)CCOCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCCC[C@H]3O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCC[C@@H]3O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CC[C@H](C)[C@H]3O)n(C)c2C)ccc1F.Cc1noc([C@@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C(C)C)n1
• InChI: InChI=1S/C24H28FN5O4.C23H28FN3O5.2C23H28FN3O4.C22H26FN3O4/c1-11(2)19(24-26-15(6)29-34-24)28-23(33)21(31)20-13(4)18(14(5)30(20)7)22(32)27-16-8-9-17(25)12(3)10-16;1-13-11-16(5-6-17(13)24)26-21(29)18-14(2)19(27(4)15(18)3)20(28)22(30)25-12-23(31)7-9-32-10-8-23;1-11-6-9-17(20(11)28)26-23(31)21(29)19-13(3)18(14(4)27(19)5)22(30)25-15-7-8-16(24)12(2)10-15;1-12-11-15(9-10-16(12)24)25-22(30)19-13(2)20(27(4)14(19)3)21(29)23(31)26-17-7-5-6-8-18(17)28;1-11-10-14(8-9-15(11)23)24-21(29)18-12(2)19(26(4)13(18)3)20(28)22(30)25-16-6-5-7-17(16)27/h8-11,19H,1-7H3,(H,27,32)(H,28,33);5-6,11,31H,7-10,12H2,1-4H3,(H,25,30)(H,26,29);7-8,10-11,17,20,28H,6,9H2,1-5H3,(H,25,30)(H,26,31);9-11,17-18,28H,5-8H2,1-4H3,(H,25,30)(H,26,31);8-10,16-17,27H,5-7H2,1-4H3,(H,24,29)(H,25,30)/t19-;;11-,17-,20+;17-,18-;16-,17+/m0.011/s1
• InChIKey: VWXHFFHEJRBYMH-XIDDBIRPSA-N
• XLogP: 14.21
• TPSA: 530.07 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2189.46
LogP ≤ 5	14.21
H-Bond Donors ≤ 5	14
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 N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 161422392) is N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCC3(O)CCOCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCCC[C@H]3O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCC[C@@H]3O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CC[C@H](C)[C@H]3O)n(C)c2C)ccc1F.Cc1noc([C@@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C(C)C)n1.

What is the InChIKey of N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is VWXHFFHEJRBYMH-XIDDBIRPSA-N. The full InChI is InChI=1S/C24H28FN5O4.C23H28FN3O5.2C23H28FN3O4.C22H26FN3O4/c1-11(2)19(24-26-15(6)29-34-24)28-23(33)21(31)20-13(4)18(14(5)30(20)7)22(32)27-16-8-9-17(25)12(3)10-16;1-13-11-16(5-6-17(13)24)26-21(29)18-14(2)19(27(4)15(18)3)20(28)22(30)25-12-23(31)7-9-32-10-8-23;1-11-6-9-17(20(11)28)26-23(31)21(29)19-13(3)18(14(4)27(19)5)22(30)25-15-7-8-16(24)12(2)10-15;1-12-11-15(9-10-16(12)24)25-22(30)19-13(2)20(27(4)14(19)3)21(29)23(31)26-17-7-5-6-8-18(17)28;1-11-10-14(8-9-15(11)23)24-21(29)18-12(2)19(26(4)13(18)3)20(28)22(30)25-16-6-5-7-17(16)27/h8-11,19H,1-7H3,(H,27,32)(H,28,33);5-6,11,31H,7-10,12H2,1-4H3,(H,25,30)(H,26,29);7-8,10-11,17,20,28H,6,9H2,1-5H3,(H,25,30)(H,26,31);9-11,17-18,28H,5-8H2,1-4H3,(H,25,30)(H,26,31);8-10,16-17,27H,5-7H2,1-4H3,(H,24,29)(H,25,30)/t19-;;11-,17-,20+;17-,18-;16-,17+/m0.011/s1.

What are the key properties of N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 2189.46 g/mol, XLogP of 14.21, 28 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 161422392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).