5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-2-[2-[4-[1-[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-2-methylpropan-2-yl]oxy-2-methylpentan-2-yl]oxypropyl]isoindole-1,3-dione

C53H44N8O10 — CID 154981461

IUPAC5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-2-[2-[4-[1-[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-2-methylpropan-2-yl]oxy-2-methylpentan-2-yl]oxypropyl]isoindole-1,3-dione
SMILESCC(CN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(c3ncccn3)C4=O)cc2C1=O)OC(C)(C)CC(C)OC(C)(C)CN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(c3ncccn3)C4=O)cc2C1=O
InChIInChI=1S/C53H44N8O10/c1-28(70-53(5,6)27-59-43(63)35-14-10-31(22-39(35)45(59)65)33-12-16-37-41(24-33)49(69)61(47(37)67)51-56-19-8-20-57-51)25-52(3,4)71-29(2)26-58-42(62)34-13-9-30(21-38(34)44(58)64)32-11-15-36-40(23-32)48(68)60(46(36)66)50-54-17-7-18-55-50/h7-24,28-29H,25-27H2,1-6H3
InChIKeySFVVVJYOZPUDKI-UHFFFAOYSA-N
MW952.98 g/mol
LogP6.85
Rot. Bonds14

About 5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-2-[2-[4-[1-[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-2-methylpropan-2-yl]oxy-2-methylpentan-2-yl]oxypropyl]isoindole-1,3-dione

5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-2-[2-[4-[1-[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-2-methylpropan-2-yl]oxy-2-methylpentan-2-yl]oxypropyl]isoindole-1,3-dione (PubChem CID 154981461) has the molecular formula C53H44N8O10 and a molecular weight of 952.98 g/mol. Its IUPAC name is 5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-2-[2-[4-[1-[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-2-methylpropan-2-yl]oxy-2-methylpentan-2-yl]oxypropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-2-[2-[4-[1-[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-2-methylpropan-2-yl]oxy-2-methylpentan-2-yl]oxypropyl]isoindole-1,3-dione
PubChem CID154981461
Molecular FormulaC53H44N8O10
Molecular Weight952.98 g/mol
Exact Mass952.32
IUPAC Name5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-2-[2-[4-[1-[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-2-methylpropan-2-yl]oxy-2-methylpentan-2-yl]oxypropyl]isoindole-1,3-dione
SMILESCC(CN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(c3ncccn3)C4=O)cc2C1=O)OC(C)(C)CC(C)OC(C)(C)CN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(c3ncccn3)C4=O)cc2C1=O
InChIInChI=1S/C53H44N8O10/c1-28(70-53(5,6)27-59-43(63)35-14-10-31(22-39(35)45(59)65)33-12-16-37-41(24-33)49(69)61(47(37)67)51-56-19-8-20-57-51)25-52(3,4)71-29(2)26-58-42(62)34-13-9-30(21-38(34)44(58)64)32-11-15-36-40(23-32)48(68)60(46(36)66)50-54-17-7-18-55-50/h7-24,28-29H,25-27H2,1-6H3
InChIKeySFVVVJYOZPUDKI-UHFFFAOYSA-N
XLogP6.85
TPSA219.54 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500952.98
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-2-[2-[4-[1-[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-2-methylpropan-2-yl]oxy-2-methylpentan-2-yl]oxypropyl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-2-[2-[4-[1-[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-2-methylpropan-2-yl]oxy-2-methylpentan-2-yl]oxypropyl]isoindole-1,3-dione?
The IUPAC name of 5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-2-[2-[4-[1-[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-2-methylpropan-2-yl]oxy-2-methylpentan-2-yl]oxypropyl]isoindole-1,3-dione (CID 154981461) is 5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-2-[2-[4-[1-[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-2-methylpropan-2-yl]oxy-2-methylpentan-2-yl]oxypropyl]isoindole-1,3-dione.
What is the SMILES notation for 5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-2-[2-[4-[1-[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-2-methylpropan-2-yl]oxy-2-methylpentan-2-yl]oxypropyl]isoindole-1,3-dione?
The canonical SMILES for 5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-2-[2-[4-[1-[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-2-methylpropan-2-yl]oxy-2-methylpentan-2-yl]oxypropyl]isoindole-1,3-dione is CC(CN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(c3ncccn3)C4=O)cc2C1=O)OC(C)(C)CC(C)OC(C)(C)CN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(c3ncccn3)C4=O)cc2C1=O.
What is the InChIKey of 5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-2-[2-[4-[1-[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-2-methylpropan-2-yl]oxy-2-methylpentan-2-yl]oxypropyl]isoindole-1,3-dione?
The InChIKey is SFVVVJYOZPUDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44N8O10/c1-28(70-53(5,6)27-59-43(63)35-14-10-31(22-39(35)45(59)65)33-12-16-37-41(24-33)49(69)61(47(37)67)51-56-19-8-20-57-51)25-52(3,4)71-29(2)26-58-42(62)34-13-9-30(21-38(34)44(58)64)32-11-15-36-40(23-32)48(68)60(46(36)66)50-54-17-7-18-55-50/h7-24,28-29H,25-27H2,1-6H3.
What are the key properties of 5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-2-[2-[4-[1-[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-2-methylpropan-2-yl]oxy-2-methylpentan-2-yl]oxypropyl]isoindole-1,3-dione?
5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-2-[2-[4-[1-[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-2-methylpropan-2-yl]oxy-2-methylpentan-2-yl]oxypropyl]isoindole-1,3-dione has a molecular weight of 952.98 g/mol, XLogP of 6.85, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-2-[2-[4-[1-[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-2-methylpropan-2-yl]oxy-2-methylpentan-2-yl]oxypropyl]isoindole-1,3-dione is sourced from PubChem (CID 154981461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).