4-[5-[4-[3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]piperidin-1-yl]-5-oxopent-1-ynyl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

C43H49N9O5 — CID 176933078

About 4-[5-[4-[3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]piperidin-1-yl]-5-oxopent-1-ynyl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

4-[5-[4-[3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]piperidin-1-yl]-5-oxopent-1-ynyl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (PubChem CID 176933078) has the molecular formula C43H49N9O5 and a molecular weight of 771.92 g/mol. Its IUPAC name is 4-[5-[4-[3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]piperidin-1-yl]-5-oxopent-1-ynyl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-[5-[4-[3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]piperidin-1-yl]-5-oxopent-1-ynyl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
• PubChem CID: 176933078
• Molecular Formula: C43H49N9O5
• Molecular Weight: 771.92 g/mol
• Exact Mass: 771.39
• IUPAC Name: 4-[5-[4-[3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]piperidin-1-yl]-5-oxopent-1-ynyl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
• SMILES: CN(C)C(=O)c1cc2c(C#CCCC(=O)N3CCC(N(C)c4cccc(C5CCC(=O)NC5=O)c4)CC3)cc(C3=CCCN(C(=O)CCn4ccnn4)C3)cc2[nH]1
• InChI: InChI=1S/C43H49N9O5/c1-48(2)43(57)38-27-36-29(24-32(26-37(36)45-38)31-10-7-19-51(28-31)41(55)17-22-52-23-18-44-47-52)8-4-5-12-40(54)50-20-15-33(16-21-50)49(3)34-11-6-9-30(25-34)35-13-14-39(53)46-42(35)56/h6,9-11,18,23-27,33,35,45H,5,7,12-17,19-22,28H2,1-3H3,(H,46,53,56)
• InChIKey: IXNILMSNVPMARZ-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 156.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	771.92
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]piperidin-1-yl]-5-oxopent-1-ynyl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The IUPAC name of 4-[5-[4-[3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]piperidin-1-yl]-5-oxopent-1-ynyl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (CID 176933078) is 4-[5-[4-[3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]piperidin-1-yl]-5-oxopent-1-ynyl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 4-[5-[4-[3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]piperidin-1-yl]-5-oxopent-1-ynyl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 4-[5-[4-[3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]piperidin-1-yl]-5-oxopent-1-ynyl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2c(C#CCCC(=O)N3CCC(N(C)c4cccc(C5CCC(=O)NC5=O)c4)CC3)cc(C3=CCCN(C(=O)CCn4ccnn4)C3)cc2[nH]1.

What is the InChIKey of 4-[5-[4-[3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]piperidin-1-yl]-5-oxopent-1-ynyl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The InChIKey is IXNILMSNVPMARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49N9O5/c1-48(2)43(57)38-27-36-29(24-32(26-37(36)45-38)31-10-7-19-51(28-31)41(55)17-22-52-23-18-44-47-52)8-4-5-12-40(54)50-20-15-33(16-21-50)49(3)34-11-6-9-30(25-34)35-13-14-39(53)46-42(35)56/h6,9-11,18,23-27,33,35,45H,5,7,12-17,19-22,28H2,1-3H3,(H,46,53,56).

What are the key properties of 4-[5-[4-[3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]piperidin-1-yl]-5-oxopent-1-ynyl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

4-[5-[4-[3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]piperidin-1-yl]-5-oxopent-1-ynyl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide has a molecular weight of 771.92 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[4-[3-(2,6-dioxopiperidin-3-yl)-N-methylanilino]piperidin-1-yl]-5-oxopent-1-ynyl]-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 176933078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).