N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylmethyl)benzamide

C54H61F2N9O10 — CID 166786725

About N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylmethyl)benzamide

N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylmethyl)benzamide (PubChem CID 166786725) has the molecular formula C54H61F2N9O10 and a molecular weight of 1034.13 g/mol. Its IUPAC name is N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylmethyl)benzamide
• PubChem CID: 166786725
• Molecular Formula: C54H61F2N9O10
• Molecular Weight: 1034.13 g/mol
• Exact Mass: 1033.45
• IUPAC Name: N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylmethyl)benzamide
• SMILES: O=C(CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(CC3CCOCC3)c2)CC1)NCCOCCOCCOCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C54H61F2N9O10/c55-38-27-36(28-39(56)31-38)25-35-1-6-46-45(29-35)50(62-61-46)60-51(68)42-5-3-41(30-37(42)26-34-9-17-72-18-10-34)64-15-13-63(14-16-64)33-49(67)58-12-20-74-22-24-75-23-21-73-19-11-57-40-2-4-43-44(32-40)54(71)65(53(43)70)47-7-8-48(66)59-52(47)69/h1-6,27-32,34,47,57H,7-26,33H2,(H,58,67)(H,59,66,69)(H2,60,61,62,68)
• InChIKey: WFSXKHWWIHDBPC-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 225.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 23
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1034.13
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

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 N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylmethyl)benzamide?

The IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylmethyl)benzamide (CID 166786725) is N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylmethyl)benzamide.

What is the SMILES notation for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylmethyl)benzamide?

The canonical SMILES for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylmethyl)benzamide is O=C(CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(CC3CCOCC3)c2)CC1)NCCOCCOCCOCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylmethyl)benzamide?

The InChIKey is WFSXKHWWIHDBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H61F2N9O10/c55-38-27-36(28-39(56)31-38)25-35-1-6-46-45(29-35)50(62-61-46)60-51(68)42-5-3-41(30-37(42)26-34-9-17-72-18-10-34)64-15-13-63(14-16-64)33-49(67)58-12-20-74-22-24-75-23-21-73-19-11-57-40-2-4-43-44(32-40)54(71)65(53(43)70)47-7-8-48(66)59-52(47)69/h1-6,27-32,34,47,57H,7-26,33H2,(H,58,67)(H,59,66,69)(H2,60,61,62,68).

What are the key properties of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylmethyl)benzamide?

N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylmethyl)benzamide has a molecular weight of 1034.13 g/mol, XLogP of 4.45, 23 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 166786725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).