6-(1-carbamoylcyclopropyl)-4-[3-[1-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide

C36H36N12O8 — CID 175446320

About 6-(1-carbamoylcyclopropyl)-4-[3-[1-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide

6-(1-carbamoylcyclopropyl)-4-[3-[1-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide (PubChem CID 175446320) has the molecular formula C36H36N12O8 and a molecular weight of 764.76 g/mol. Its IUPAC name is 6-(1-carbamoylcyclopropyl)-4-[3-[1-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(1-carbamoylcyclopropyl)-4-[3-[1-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide
• PubChem CID: 175446320
• Molecular Formula: C36H36N12O8
• Molecular Weight: 764.76 g/mol
• Exact Mass: 764.28
• IUPAC Name: 6-(1-carbamoylcyclopropyl)-4-[3-[1-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide
• SMILES: CNC(=O)c1nnc(C2(C(N)=O)CC2)cc1Nc1cccc(-c2ncn(CCNC(=O)CNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)n2)c1OC
• InChI: InChI=1S/C36H36N12O8/c1-38-32(52)28-23(15-25(44-45-28)36(10-11-36)35(37)55)42-22-5-3-4-20(29(22)56-2)30-41-17-47(46-30)13-12-39-27(50)16-40-18-6-7-19-21(14-18)34(54)48(33(19)53)24-8-9-26(49)43-31(24)51/h3-7,14-15,17,24,40H,8-13,16H2,1-2H3,(H2,37,55)(H,38,52)(H,39,50)(H,42,44)(H,43,49,51)
• InChIKey: UGYSLFNAECAZNL-UHFFFAOYSA-N
• XLogP: -0.01
• TPSA: 274.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	764.76
LogP ≤ 5	-0.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(1-carbamoylcyclopropyl)-4-[3-[1-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide?

The IUPAC name of 6-(1-carbamoylcyclopropyl)-4-[3-[1-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide (CID 175446320) is 6-(1-carbamoylcyclopropyl)-4-[3-[1-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide.

What is the SMILES notation for 6-(1-carbamoylcyclopropyl)-4-[3-[1-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide?

The canonical SMILES for 6-(1-carbamoylcyclopropyl)-4-[3-[1-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(C2(C(N)=O)CC2)cc1Nc1cccc(-c2ncn(CCNC(=O)CNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)n2)c1OC.

What is the InChIKey of 6-(1-carbamoylcyclopropyl)-4-[3-[1-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide?

The InChIKey is UGYSLFNAECAZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N12O8/c1-38-32(52)28-23(15-25(44-45-28)36(10-11-36)35(37)55)42-22-5-3-4-20(29(22)56-2)30-41-17-47(46-30)13-12-39-27(50)16-40-18-6-7-19-21(14-18)34(54)48(33(19)53)24-8-9-26(49)43-31(24)51/h3-7,14-15,17,24,40H,8-13,16H2,1-2H3,(H2,37,55)(H,38,52)(H,39,50)(H,42,44)(H,43,49,51).

What are the key properties of 6-(1-carbamoylcyclopropyl)-4-[3-[1-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide?

6-(1-carbamoylcyclopropyl)-4-[3-[1-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide has a molecular weight of 764.76 g/mol, XLogP of -0.01, 14 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-carbamoylcyclopropyl)-4-[3-[1-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 175446320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).