2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione

C39H47N11O5 — CID 135157178

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
SMILESCOC1(CCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1
InChIInChI=1S/C39H47N11O5/c1-24(2)49-25(3)42-29-23-41-33(22-31(29)49)43-32-9-13-40-38(44-32)48-15-11-39(55-4,12-16-48)10-14-46-17-19-47(20-18-46)26-5-6-27-28(21-26)37(54)50(36(27)53)30-7-8-34(51)45-35(30)52/h5-6,9,13,21-24,30H,7-8,10-12,14-20H2,1-4H3,(H,45,51,52)(H,40,41,43,44)
InChIKeyFOVZAELMJWNOAX-UHFFFAOYSA-N
MW749.88 g/mol
LogP3.45
Rot. Bonds10

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione (PubChem CID 135157178) has the molecular formula C39H47N11O5 and a molecular weight of 749.88 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
PubChem CID135157178
Molecular FormulaC39H47N11O5
Molecular Weight749.88 g/mol
Exact Mass749.38
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
SMILESCOC1(CCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1
InChIInChI=1S/C39H47N11O5/c1-24(2)49-25(3)42-29-23-41-33(22-31(29)49)43-32-9-13-40-38(44-32)48-15-11-39(55-4,12-16-48)10-14-46-17-19-47(20-18-46)26-5-6-27-28(21-26)37(54)50(36(27)53)30-7-8-34(51)45-35(30)52/h5-6,9,13,21-24,30H,7-8,10-12,14-20H2,1-4H3,(H,45,51,52)(H,40,41,43,44)
InChIKeyFOVZAELMJWNOAX-UHFFFAOYSA-N
XLogP3.45
TPSA171.02 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.88
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione (CID 135157178) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione is COC1(CCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?
The InChIKey is FOVZAELMJWNOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47N11O5/c1-24(2)49-25(3)42-29-23-41-33(22-31(29)49)43-32-9-13-40-38(44-32)48-15-11-39(55-4,12-16-48)10-14-46-17-19-47(20-18-46)26-5-6-27-28(21-26)37(54)50(36(27)53)30-7-8-34(51)45-35(30)52/h5-6,9,13,21-24,30H,7-8,10-12,14-20H2,1-4H3,(H,45,51,52)(H,40,41,43,44).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 749.88 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 135157178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).