N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid

C28H37F3N8O6 — CID 155566720

About N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid

N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155566720) has the molecular formula C28H37F3N8O6 and a molecular weight of 638.65 g/mol. Its IUPAC name is N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155566720
• Molecular Formula: C28H37F3N8O6
• Molecular Weight: 638.65 g/mol
• Exact Mass: 638.28
• IUPAC Name: N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CC(C)n1cc(NC(=O)c2cc(NC=O)cn2C)cc1C(=O)Nc1cc(C(=O)NCCCN(C)C)n(C)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C26H36N8O4.C2HF3O2/c1-17(2)34-15-20(30-25(37)22-10-18(28-16-35)13-32(22)5)12-23(34)26(38)29-19-11-21(33(6)14-19)24(36)27-8-7-9-31(3)4;3-2(4,5)1(6)7/h10-17H,7-9H2,1-6H3,(H,27,36)(H,28,35)(H,29,38)(H,30,37);(H,6,7)
• InChIKey: WLKQCXQRLHLTNU-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 171.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	638.65
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155566720) is N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is CC(C)n1cc(NC(=O)c2cc(NC=O)cn2C)cc1C(=O)Nc1cc(C(=O)NCCCN(C)C)n(C)c1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is WLKQCXQRLHLTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N8O4.C2HF3O2/c1-17(2)34-15-20(30-25(37)22-10-18(28-16-35)13-32(22)5)12-23(34)26(38)29-19-11-21(33(6)14-19)24(36)27-8-7-9-31(3)4;3-2(4,5)1(6)7/h10-17H,7-9H2,1-6H3,(H,27,36)(H,28,35)(H,29,38)(H,30,37);(H,6,7).

What are the key properties of N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?

N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 638.65 g/mol, XLogP of 3.13, 12 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-propan-2-ylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155566720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).