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

C43H55N11O7 — CID 156905970

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]propyl]piperazin-1-yl]propoxy]isoindole-1,3-dione
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCCN3CCN(CCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)n4C(C)C)n2)CC1
InChIInChI=1S/C43H55N11O7/c1-28(2)53-35-25-37(47-36-10-13-44-43(48-36)52-16-11-29(59-3)12-17-52)45-26-33(35)46-38(53)27-60-22-4-14-50-18-20-51(21-19-50)15-5-23-61-30-6-7-31-32(24-30)42(58)54(41(31)57)34-8-9-39(55)49-40(34)56/h6-7,10,13,24-26,28-29,34H,4-5,8-9,11-12,14-23,27H2,1-3H3,(H,49,55,56)(H,44,45,47,48)
InChIKeyINRMIESAVNLNEO-UHFFFAOYSA-N
MW837.98 g/mol
LogP3.56
Rot. Bonds17

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

2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]propyl]piperazin-1-yl]propoxy]isoindole-1,3-dione (PubChem CID 156905970) has the molecular formula C43H55N11O7 and a molecular weight of 837.98 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]propyl]piperazin-1-yl]propoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]propyl]piperazin-1-yl]propoxy]isoindole-1,3-dione
PubChem CID156905970
Molecular FormulaC43H55N11O7
Molecular Weight837.98 g/mol
Exact Mass837.43
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]propyl]piperazin-1-yl]propoxy]isoindole-1,3-dione
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCCN3CCN(CCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)n4C(C)C)n2)CC1
InChIInChI=1S/C43H55N11O7/c1-28(2)53-35-25-37(47-36-10-13-44-43(48-36)52-16-11-29(59-3)12-17-52)45-26-33(35)46-38(53)27-60-22-4-14-50-18-20-51(21-19-50)15-5-23-61-30-6-7-31-32(24-30)42(58)54(41(31)57)34-8-9-39(55)49-40(34)56/h6-7,10,13,24-26,28-29,34H,4-5,8-9,11-12,14-23,27H2,1-3H3,(H,49,55,56)(H,44,45,47,48)
InChIKeyINRMIESAVNLNEO-UHFFFAOYSA-N
XLogP3.56
TPSA189.48 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.98
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]propyl]piperazin-1-yl]propoxy]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]propyl]piperazin-1-yl]propoxy]isoindole-1,3-dione (CID 156905970) is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]propyl]piperazin-1-yl]propoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]propyl]piperazin-1-yl]propoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]propyl]piperazin-1-yl]propoxy]isoindole-1,3-dione is COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCCN3CCN(CCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)n4C(C)C)n2)CC1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]propyl]piperazin-1-yl]propoxy]isoindole-1,3-dione?
The InChIKey is INRMIESAVNLNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H55N11O7/c1-28(2)53-35-25-37(47-36-10-13-44-43(48-36)52-16-11-29(59-3)12-17-52)45-26-33(35)46-38(53)27-60-22-4-14-50-18-20-51(21-19-50)15-5-23-61-30-6-7-31-32(24-30)42(58)54(41(31)57)34-8-9-39(55)49-40(34)56/h6-7,10,13,24-26,28-29,34H,4-5,8-9,11-12,14-23,27H2,1-3H3,(H,49,55,56)(H,44,45,47,48).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]propyl]piperazin-1-yl]propoxy]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]propyl]piperazin-1-yl]propoxy]isoindole-1,3-dione has a molecular weight of 837.98 g/mol, XLogP of 3.56, 17 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[3-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]propyl]piperazin-1-yl]propoxy]isoindole-1,3-dione is sourced from PubChem (CID 156905970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).