6-(cyclopropanecarbonylamino)-4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide

C45H54N12O12 — CID 170928241

About 6-(cyclopropanecarbonylamino)-4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide (PubChem CID 170928241) has the molecular formula C45H54N12O12 and a molecular weight of 955.00 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropanecarbonylamino)-4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide
• PubChem CID: 170928241
• Molecular Formula: C45H54N12O12
• Molecular Weight: 955.00 g/mol
• Exact Mass: 954.40
• IUPAC Name: 6-(cyclopropanecarbonylamino)-4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide
• SMILES: CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(CCNC(=O)CCOCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)n2)c1OC
• InChI: InChI=1S/C45H54N12O12/c1-46-43(62)38-32(25-34(53-54-38)51-41(60)27-9-10-27)50-31-8-4-6-29(39(31)65-2)40-49-26-56(55-40)16-14-48-35(58)13-17-66-19-21-68-23-24-69-22-20-67-18-15-47-30-7-3-5-28-37(30)45(64)57(44(28)63)33-11-12-36(59)52-42(33)61/h3-8,25-27,33,47H,9-24H2,1-2H3,(H,46,62)(H,48,58)(H,52,59,61)(H2,50,51,53,60)
• InChIKey: DVGHJDWFLMZWMX-UHFFFAOYSA-N
• XLogP: 1.28
• TPSA: 297.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 27
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	955.00
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide?

The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide (CID 170928241) is 6-(cyclopropanecarbonylamino)-4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide.

What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide?

The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(CCNC(=O)CCOCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)n2)c1OC.

What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide?

The InChIKey is DVGHJDWFLMZWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H54N12O12/c1-46-43(62)38-32(25-34(53-54-38)51-41(60)27-9-10-27)50-31-8-4-6-29(39(31)65-2)40-49-26-56(55-40)16-14-48-35(58)13-17-66-19-21-68-23-24-69-22-20-67-18-15-47-30-7-3-5-28-37(30)45(64)57(44(28)63)33-11-12-36(59)52-42(33)61/h3-8,25-27,33,47H,9-24H2,1-2H3,(H,46,62)(H,48,58)(H,52,59,61)(H2,50,51,53,60).

What are the key properties of 6-(cyclopropanecarbonylamino)-4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide?

6-(cyclopropanecarbonylamino)-4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide has a molecular weight of 955.00 g/mol, XLogP of 1.28, 27 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropanecarbonylamino)-4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 170928241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).