5-[2-(tert-butylamino)-2-oxoacetyl]-2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methylpyrrole-3-carboxamide;N-(3-cyano-4-fluorophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,4-dimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;4-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,2-dimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-[(1-methylcyclobutyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide

C113H103F13N24O18 — CID 158387174

About 5-[2-(tert-butylamino)-2-oxoacetyl]-2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methylpyrrole-3-carboxamide;N-(3-cyano-4-fluorophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,4-dimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;4-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,2-dimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-[(1-methylcyclobutyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide

5-[2-(tert-butylamino)-2-oxoacetyl]-2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methylpyrrole-3-carboxamide;N-(3-cyano-4-fluorophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,4-dimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;4-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,2-dimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-[(1-methylcyclobutyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 158387174) has the molecular formula C113H103F13N24O18 and a molecular weight of 2332.19 g/mol. Its IUPAC name is 5-[2-(tert-butylamino)-2-oxoacetyl]-2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methylpyrrole-3-carboxamide;N-(3-cyano-4-fluorophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,4-dimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;4-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,2-dimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-[(1-methylcyclobutyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(tert-butylamino)-2-oxoacetyl]-2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methylpyrrole-3-carboxamide;N-(3-cyano-4-fluorophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,4-dimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;4-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,2-dimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-[(1-methylcyclobutyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 158387174
• Molecular Formula: C113H103F13N24O18
• Molecular Weight: 2332.19 g/mol
• Exact Mass: 2330.77
• IUPAC Name: 5-[2-(tert-butylamino)-2-oxoacetyl]-2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methylpyrrole-3-carboxamide;N-(3-cyano-4-fluorophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,4-dimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;4-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,2-dimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-[(1-methylcyclobutyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: CC(C)NC(=O)C(=O)c1cc(C(=O)Nc2ccc(F)c(C#N)c2)cn1C.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)C)n(C)c2F)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(F)c(C(=O)C(=O)N[C@@H](C)C(F)(F)F)n(C)c2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2cc(C(=O)C(=O)NC(C)(C)C)n(C)c2F)ccc1F.[C-]#[N+]c1cc(NC(=O)c2cc(C(=O)C(=O)NC(C)C)n(C)c2F)ccc1F.[C-]#[N+]c1cc(NC(=O)c2cc(C(=O)C(=O)NC3(C)CCC3)n(C)c2)ccc1F
• InChI: InChI=1S/C20H19FN4O3.C19H15F5N4O3.2C19H18F2N4O3.C18H16F2N4O3.C18H17FN4O3/c1-20(7-4-8-20)24-19(28)17(26)16-9-12(11-25(16)3)18(27)23-13-5-6-14(21)15(10-13)22-2;1-8-13(17(30)27-10-5-6-11(20)12(7-10)25-3)14(21)15(28(8)4)16(29)18(31)26-9(2)19(22,23)24;1-19(2,3)24-18(28)15(26)14-9-11(16(21)25(14)5)17(27)23-10-6-7-12(20)13(8-10)22-4;1-9(2)23-19(28)16(26)15-10(3)14(17(21)25(15)5)18(27)24-11-6-7-12(20)13(8-11)22-4;1-9(2)22-18(27)15(25)14-8-11(16(20)24(14)4)17(26)23-10-5-6-12(19)13(7-10)21-3;1-10(2)21-18(26)16(24)15-7-12(9-23(15)3)17(25)22-13-4-5-14(19)11(6-13)8-20/h5-6,9-11H,4,7-8H2,1,3H3,(H,23,27)(H,24,28);5-7,9H,1-2,4H3,(H,26,31)(H,27,30);6-9H,1-3,5H3,(H,23,27)(H,24,28);6-9H,1-3,5H3,(H,23,28)(H,24,27);5-9H,1-2,4H3,(H,22,27)(H,23,26);4-7,9-10H,1-3H3,(H,21,26)(H,22,25)/t;9-;;;;/m.0..../s1
• InChIKey: GWMUPYAYAPTFSS-CBMYCVSZSA-N
• XLogP: 18.01
• TPSA: 526.79 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2332.19
LogP ≤ 5	18.01
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(tert-butylamino)-2-oxoacetyl]-2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methylpyrrole-3-carboxamide;N-(3-cyano-4-fluorophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,4-dimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;4-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,2-dimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-[(1-methylcyclobutyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-(tert-butylamino)-2-oxoacetyl]-2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methylpyrrole-3-carboxamide;N-(3-cyano-4-fluorophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,4-dimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;4-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,2-dimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-[(1-methylcyclobutyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 158387174) is 5-[2-(tert-butylamino)-2-oxoacetyl]-2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methylpyrrole-3-carboxamide;N-(3-cyano-4-fluorophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,4-dimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;4-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,2-dimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-[(1-methylcyclobutyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-(tert-butylamino)-2-oxoacetyl]-2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methylpyrrole-3-carboxamide;N-(3-cyano-4-fluorophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,4-dimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;4-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,2-dimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-[(1-methylcyclobutyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-(tert-butylamino)-2-oxoacetyl]-2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methylpyrrole-3-carboxamide;N-(3-cyano-4-fluorophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,4-dimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;4-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,2-dimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-[(1-methylcyclobutyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide is CC(C)NC(=O)C(=O)c1cc(C(=O)Nc2ccc(F)c(C#N)c2)cn1C.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)C)n(C)c2F)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(F)c(C(=O)C(=O)N[C@@H](C)C(F)(F)F)n(C)c2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2cc(C(=O)C(=O)NC(C)(C)C)n(C)c2F)ccc1F.[C-]#[N+]c1cc(NC(=O)c2cc(C(=O)C(=O)NC(C)C)n(C)c2F)ccc1F.[C-]#[N+]c1cc(NC(=O)c2cc(C(=O)C(=O)NC3(C)CCC3)n(C)c2)ccc1F.

What is the InChIKey of 5-[2-(tert-butylamino)-2-oxoacetyl]-2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methylpyrrole-3-carboxamide;N-(3-cyano-4-fluorophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,4-dimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;4-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,2-dimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-[(1-methylcyclobutyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is GWMUPYAYAPTFSS-CBMYCVSZSA-N. The full InChI is InChI=1S/C20H19FN4O3.C19H15F5N4O3.2C19H18F2N4O3.C18H16F2N4O3.C18H17FN4O3/c1-20(7-4-8-20)24-19(28)17(26)16-9-12(11-25(16)3)18(27)23-13-5-6-14(21)15(10-13)22-2;1-8-13(17(30)27-10-5-6-11(20)12(7-10)25-3)14(21)15(28(8)4)16(29)18(31)26-9(2)19(22,23)24;1-19(2,3)24-18(28)15(26)14-9-11(16(21)25(14)5)17(27)23-10-6-7-12(20)13(8-10)22-4;1-9(2)23-19(28)16(26)15-10(3)14(17(21)25(15)5)18(27)24-11-6-7-12(20)13(8-11)22-4;1-9(2)22-18(27)15(25)14-8-11(16(20)24(14)4)17(26)23-10-5-6-12(19)13(7-10)21-3;1-10(2)21-18(26)16(24)15-7-12(9-23(15)3)17(25)22-13-4-5-14(19)11(6-13)8-20/h5-6,9-11H,4,7-8H2,1,3H3,(H,23,27)(H,24,28);5-7,9H,1-2,4H3,(H,26,31)(H,27,30);6-9H,1-3,5H3,(H,23,27)(H,24,28);6-9H,1-3,5H3,(H,23,28)(H,24,27);5-9H,1-2,4H3,(H,22,27)(H,23,26);4-7,9-10H,1-3H3,(H,21,26)(H,22,25)/t;9-;;;;/m.0..../s1.

What are the key properties of 5-[2-(tert-butylamino)-2-oxoacetyl]-2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methylpyrrole-3-carboxamide;N-(3-cyano-4-fluorophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,4-dimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;4-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,2-dimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-[(1-methylcyclobutyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide?

5-[2-(tert-butylamino)-2-oxoacetyl]-2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methylpyrrole-3-carboxamide;N-(3-cyano-4-fluorophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,4-dimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;4-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,2-dimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-[(1-methylcyclobutyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 2332.19 g/mol, XLogP of 18.01, 29 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(tert-butylamino)-2-oxoacetyl]-2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methylpyrrole-3-carboxamide;N-(3-cyano-4-fluorophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,4-dimethyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;4-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,2-dimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide;2-fluoro-N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-[(1-methylcyclobutyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 158387174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).