5-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,4-dimethylpyrrole-3-carboxamide

C126H145Cl6F7N18O20 — CID 157490599

About 5-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,4-dimethylpyrrole-3-carboxamide

5-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,4-dimethylpyrrole-3-carboxamide (PubChem CID 157490599) has the molecular formula C126H145Cl6F7N18O20 and a molecular weight of 2577.36 g/mol. Its IUPAC name is 5-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,4-dimethylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,4-dimethylpyrrole-3-carboxamide
• PubChem CID: 157490599
• Molecular Formula: C126H145Cl6F7N18O20
• Molecular Weight: 2577.36 g/mol
• Exact Mass: 2572.89
• IUPAC Name: 5-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,4-dimethylpyrrole-3-carboxamide
• SMILES: CCC(CC)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(Cl)n1C.CCC(CC)NC(=O)C(=O)c1c(Cl)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C)n(C)c2Cl)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(CO)CC(C)(F)C3)n(C)c2Cl)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCC(C)(C)C)n(C)c2Cl)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCC[C@@H]3O)n(C)c2Cl)ccc1F
• InChI: InChI=1S/C22H24ClF2N3O4.C21H23ClFN3O4.3C21H25ClFN3O3.C20H23ClFN3O3/c1-11-7-13(5-6-14(11)24)26-19(31)15-12(2)16(28(4)18(15)23)17(30)20(32)27-22(10-29)8-21(3,25)9-22;1-10-9-12(7-8-13(10)23)24-20(29)16-11(2)17(26(3)19(16)22)18(28)21(30)25-14-5-4-6-15(14)27;1-11-9-13(7-8-14(11)23)25-19(28)15-12(2)16(26(6)18(15)22)17(27)20(29)24-10-21(3,4)5;1-6-13(7-2)24-21(29)19(27)18-17(22)16(12(4)26(18)5)20(28)25-14-8-9-15(23)11(3)10-14;1-6-13(7-2)24-21(29)18(27)17-12(4)16(19(22)26(17)5)20(28)25-14-8-9-15(23)11(3)10-14;1-10-9-12(7-8-13(10)22)23-18(27)14-11(2)15(25(6)17(14)21)16(26)19(28)24-20(3,4)5/h5-7,29H,8-10H2,1-4H3,(H,26,31)(H,27,32);7-9,14-15,27H,4-6H2,1-3H3,(H,24,29)(H,25,30);7-9H,10H2,1-6H3,(H,24,29)(H,25,28);2*8-10,13H,6-7H2,1-5H3,(H,24,29)(H,25,28);7-9H,1-6H3,(H,23,27)(H,24,28)/t;14-,15+;;;;/m.1..../s1
• InChIKey: BXFOBZZJELCCQT-RUTYWZMTSA-N
• XLogP: 22.30
• TPSA: 521.66 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 26
• Rotatable Bonds: 34
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2577.36
LogP ≤ 5	22.30
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,4-dimethylpyrrole-3-carboxamide?

The IUPAC name of 5-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,4-dimethylpyrrole-3-carboxamide (CID 157490599) is 5-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,4-dimethylpyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,4-dimethylpyrrole-3-carboxamide?

The canonical SMILES for 5-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,4-dimethylpyrrole-3-carboxamide is CCC(CC)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(Cl)n1C.CCC(CC)NC(=O)C(=O)c1c(Cl)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C)n(C)c2Cl)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(CO)CC(C)(F)C3)n(C)c2Cl)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCC(C)(C)C)n(C)c2Cl)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCC[C@@H]3O)n(C)c2Cl)ccc1F.

What is the InChIKey of 5-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,4-dimethylpyrrole-3-carboxamide?

The InChIKey is BXFOBZZJELCCQT-RUTYWZMTSA-N. The full InChI is InChI=1S/C22H24ClF2N3O4.C21H23ClFN3O4.3C21H25ClFN3O3.C20H23ClFN3O3/c1-11-7-13(5-6-14(11)24)26-19(31)15-12(2)16(28(4)18(15)23)17(30)20(32)27-22(10-29)8-21(3,25)9-22;1-10-9-12(7-8-13(10)23)24-20(29)16-11(2)17(26(3)19(16)22)18(28)21(30)25-14-5-4-6-15(14)27;1-11-9-13(7-8-14(11)23)25-19(28)15-12(2)16(26(6)18(15)22)17(27)20(29)24-10-21(3,4)5;1-6-13(7-2)24-21(29)19(27)18-17(22)16(12(4)26(18)5)20(28)25-14-8-9-15(23)11(3)10-14;1-6-13(7-2)24-21(29)18(27)17-12(4)16(19(22)26(17)5)20(28)25-14-8-9-15(23)11(3)10-14;1-10-9-12(7-8-13(10)22)23-18(27)14-11(2)15(25(6)17(14)21)16(26)19(28)24-20(3,4)5/h5-7,29H,8-10H2,1-4H3,(H,26,31)(H,27,32);7-9,14-15,27H,4-6H2,1-3H3,(H,24,29)(H,25,30);7-9H,10H2,1-6H3,(H,24,29)(H,25,28);2*8-10,13H,6-7H2,1-5H3,(H,24,29)(H,25,28);7-9H,1-6H3,(H,23,27)(H,24,28)/t;14-,15+;;;;/m.1..../s1.

What are the key properties of 5-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,4-dimethylpyrrole-3-carboxamide?

5-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,4-dimethylpyrrole-3-carboxamide has a molecular weight of 2577.36 g/mol, XLogP of 22.30, 34 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-1,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,4-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 157490599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).