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

C106H122Cl5F6N15O17 — CID 159197539

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

4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2-dimethylpyrrole-3-carboxamide (PubChem CID 159197539) has the molecular formula C106H122Cl5F6N15O17 and a molecular weight of 2169.48 g/mol. Its IUPAC name is 4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2-dimethylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2-dimethylpyrrole-3-carboxamide
• PubChem CID: 159197539
• Molecular Formula: C106H122Cl5F6N15O17
• Molecular Weight: 2169.48 g/mol
• Exact Mass: 2165.75
• IUPAC Name: 4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2-dimethylpyrrole-3-carboxamide
• SMILES: CCC(C)(C)NC(=O)C(=O)c1c(Cl)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C.CCC(CC)NC(=O)C(=O)c1c(Cl)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C.Cc1cc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(CO)CC(C)(F)C3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(Cl)c(C(=O)C(=O)NCC(C)(C)C)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(Cl)c(C(=O)C(=O)N[C@@H]3CCC[C@@H]3O)n(C)c2C)ccc1F
• InChI: InChI=1S/C22H24ClF2N3O4.C21H23ClFN3O4.3C21H25ClFN3O3/c1-11-7-13(5-6-14(11)24)26-19(31)15-12(2)28(4)17(16(15)23)18(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)26(3)18(17(16)22)19(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)26(6)17(16(15)22)18(27)20(29)24-10-21(3,4)5;1-7-21(4,5)25-20(29)18(27)17-16(22)15(12(3)26(17)6)19(28)24-13-8-9-14(23)11(2)10-13;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/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);8-10H,7H2,1-6H3,(H,24,28)(H,25,29);8-10,13H,6-7H2,1-5H3,(H,24,29)(H,25,28)/t;14-,15+;;;/m.1.../s1
• InChIKey: KOVYNPJHEKOUDH-DPVYRALLSA-N
• XLogP: 18.52
• TPSA: 441.46 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2169.48
LogP ≤ 5	18.52
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2-dimethylpyrrole-3-carboxamide (CID 159197539) is 4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2-dimethylpyrrole-3-carboxamide.

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

The canonical SMILES for 4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2-dimethylpyrrole-3-carboxamide is CCC(C)(C)NC(=O)C(=O)c1c(Cl)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C.CCC(CC)NC(=O)C(=O)c1c(Cl)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C.Cc1cc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(CO)CC(C)(F)C3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(Cl)c(C(=O)C(=O)NCC(C)(C)C)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(Cl)c(C(=O)C(=O)N[C@@H]3CCC[C@@H]3O)n(C)c2C)ccc1F.

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

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

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

4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2-dimethylpyrrole-3-carboxamide has a molecular weight of 2169.48 g/mol, XLogP of 18.52, 29 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 159197539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).