2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide

C46H55N11O10 — CID 164620334

IUPAC2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESCC(C)c1cnn2c(NCc3ccccc3-n3ccnc3)nc(OC3CCN(CCOCCOCCOCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc12
InChIInChI=1S/C46H55N11O10/c1-30(2)34-27-50-57-41(34)52-46(53-45(57)49-26-31-6-3-4-8-35(31)55-18-14-47-29-55)67-32-12-16-54(17-13-32)19-21-64-23-25-65-24-22-63-20-15-48-39(59)28-66-37-9-5-7-33-40(37)44(62)56(43(33)61)36-10-11-38(58)51-42(36)60/h3-9,14,18,27,29-30,32,36H,10-13,15-17,19-26,28H2,1-2H3,(H,48,59)(H,49,52,53)(H,51,58,60)
InChIKeyRBNWFEGECVOCSK-UHFFFAOYSA-N
MW922.01 g/mol
LogP2.53
Rot. Bonds23

About 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 164620334) has the molecular formula C46H55N11O10 and a molecular weight of 922.01 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide
PubChem CID164620334
Molecular FormulaC46H55N11O10
Molecular Weight922.01 g/mol
Exact Mass921.41
IUPAC Name2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESCC(C)c1cnn2c(NCc3ccccc3-n3ccnc3)nc(OC3CCN(CCOCCOCCOCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc12
InChIInChI=1S/C46H55N11O10/c1-30(2)34-27-50-57-41(34)52-46(53-45(57)49-26-31-6-3-4-8-35(31)55-18-14-47-29-55)67-32-12-16-54(17-13-32)19-21-64-23-25-65-24-22-63-20-15-48-39(59)28-66-37-9-5-7-33-40(37)44(62)56(43(33)61)36-10-11-38(58)51-42(36)60/h3-9,14,18,27,29-30,32,36H,10-13,15-17,19-26,28H2,1-2H3,(H,48,59)(H,49,52,53)(H,51,58,60)
InChIKeyRBNWFEGECVOCSK-UHFFFAOYSA-N
XLogP2.53
TPSA234.97 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.01
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 164620334) is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide is CC(C)c1cnn2c(NCc3ccccc3-n3ccnc3)nc(OC3CCN(CCOCCOCCOCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc12.
What is the InChIKey of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is RBNWFEGECVOCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H55N11O10/c1-30(2)34-27-50-57-41(34)52-46(53-45(57)49-26-31-6-3-4-8-35(31)55-18-14-47-29-55)67-32-12-16-54(17-13-32)19-21-64-23-25-65-24-22-63-20-15-48-39(59)28-66-37-9-5-7-33-40(37)44(62)56(43(33)61)36-10-11-38(58)51-42(36)60/h3-9,14,18,27,29-30,32,36H,10-13,15-17,19-26,28H2,1-2H3,(H,48,59)(H,49,52,53)(H,51,58,60).
What are the key properties of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 922.01 g/mol, XLogP of 2.53, 23 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 164620334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).