2-(2,6-dioxopiperidin-3-yl)-4-[[2-oxo-2-[4-[6-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]-3-pyridinyl]piperazin-1-yl]ethyl]amino]isoindole-1,3-dione

C38H39N11O6 — CID 134605630

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[[2-oxo-2-[4-[6-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]-3-pyridinyl]piperazin-1-yl]ethyl]amino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(NCC(=O)N4CCN(c5ccc(Nc6ncc7cc8n(c7n6)C6(CCCCC6)CNC8=O)nc5)CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C38H39N11O6/c50-29-10-8-26(34(53)44-29)48-35(54)24-5-4-6-25(31(24)36(48)55)39-20-30(51)47-15-13-46(14-16-47)23-7-9-28(40-19-23)43-37-41-18-22-17-27-33(52)42-21-38(11-2-1-3-12-38)49(27)32(22)45-37/h4-7,9,17-19,26,39H,1-3,8,10-16,20-21H2,(H,42,52)(H,44,50,53)(H,40,41,43,45)
InChIKeyRZEJTGXVKCGKKA-UHFFFAOYSA-N
MW745.80 g/mol
LogP2.13
Rot. Bonds7

About 2-(2,6-dioxopiperidin-3-yl)-4-[[2-oxo-2-[4-[6-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]-3-pyridinyl]piperazin-1-yl]ethyl]amino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[[2-oxo-2-[4-[6-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]-3-pyridinyl]piperazin-1-yl]ethyl]amino]isoindole-1,3-dione (PubChem CID 134605630) has the molecular formula C38H39N11O6 and a molecular weight of 745.80 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[2-oxo-2-[4-[6-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]-3-pyridinyl]piperazin-1-yl]ethyl]amino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[[2-oxo-2-[4-[6-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]-3-pyridinyl]piperazin-1-yl]ethyl]amino]isoindole-1,3-dione
PubChem CID134605630
Molecular FormulaC38H39N11O6
Molecular Weight745.80 g/mol
Exact Mass745.31
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[[2-oxo-2-[4-[6-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]-3-pyridinyl]piperazin-1-yl]ethyl]amino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(NCC(=O)N4CCN(c5ccc(Nc6ncc7cc8n(c7n6)C6(CCCCC6)CNC8=O)nc5)CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C38H39N11O6/c50-29-10-8-26(34(53)44-29)48-35(54)24-5-4-6-25(31(24)36(48)55)39-20-30(51)47-15-13-46(14-16-47)23-7-9-28(40-19-23)43-37-41-18-22-17-27-33(52)42-21-38(11-2-1-3-12-38)49(27)32(22)45-37/h4-7,9,17-19,26,39H,1-3,8,10-16,20-21H2,(H,42,52)(H,44,50,53)(H,40,41,43,45)
InChIKeyRZEJTGXVKCGKKA-UHFFFAOYSA-N
XLogP2.13
TPSA203.86 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.80
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-4-[[2-oxo-2-[4-[6-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]-3-pyridinyl]piperazin-1-yl]ethyl]amino]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)-4-[[2-oxo-2-[4-[6-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]-3-pyridinyl]piperazin-1-yl]ethyl]amino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[2-oxo-2-[4-[6-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]-3-pyridinyl]piperazin-1-yl]ethyl]amino]isoindole-1,3-dione (CID 134605630) is 2-(2,6-dioxopiperidin-3-yl)-4-[[2-oxo-2-[4-[6-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]-3-pyridinyl]piperazin-1-yl]ethyl]amino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[[2-oxo-2-[4-[6-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]-3-pyridinyl]piperazin-1-yl]ethyl]amino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[2-oxo-2-[4-[6-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]-3-pyridinyl]piperazin-1-yl]ethyl]amino]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(NCC(=O)N4CCN(c5ccc(Nc6ncc7cc8n(c7n6)C6(CCCCC6)CNC8=O)nc5)CC4)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[[2-oxo-2-[4-[6-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]-3-pyridinyl]piperazin-1-yl]ethyl]amino]isoindole-1,3-dione?
The InChIKey is RZEJTGXVKCGKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39N11O6/c50-29-10-8-26(34(53)44-29)48-35(54)24-5-4-6-25(31(24)36(48)55)39-20-30(51)47-15-13-46(14-16-47)23-7-9-28(40-19-23)43-37-41-18-22-17-27-33(52)42-21-38(11-2-1-3-12-38)49(27)32(22)45-37/h4-7,9,17-19,26,39H,1-3,8,10-16,20-21H2,(H,42,52)(H,44,50,53)(H,40,41,43,45).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[[2-oxo-2-[4-[6-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]-3-pyridinyl]piperazin-1-yl]ethyl]amino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[[2-oxo-2-[4-[6-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]-3-pyridinyl]piperazin-1-yl]ethyl]amino]isoindole-1,3-dione has a molecular weight of 745.80 g/mol, XLogP of 2.13, 7 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[[2-oxo-2-[4-[6-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]-3-pyridinyl]piperazin-1-yl]ethyl]amino]isoindole-1,3-dione is sourced from PubChem (CID 134605630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).