2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidine-4-carbaldehyde

C80H80N16O9 — CID 167567102

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidine-4-carbaldehyde

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidine-4-carbaldehyde (PubChem CID 167567102) has the molecular formula C80H80N16O9 and a molecular weight of 1409.62 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidine-4-carbaldehyde.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidine-4-carbaldehyde
• PubChem CID: 167567102
• Molecular Formula: C80H80N16O9
• Molecular Weight: 1409.62 g/mol
• Exact Mass: 1408.63
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidine-4-carbaldehyde
• SMILES: Cn1c2ccncc2c2ccc(-c3ccc(N4CCC(C=O)CC4)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(N4CCC(CN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)nc3)cc21.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C40H40N8O4.C23H22N4O.C17H18N4O4/c1-44-33-10-13-41-23-32(33)29-5-2-26(20-35(29)44)27-3-8-36(42-22-27)47-14-11-25(12-15-47)24-45-16-18-46(19-17-45)28-4-6-30-31(21-28)40(52)48(39(30)51)34-7-9-37(49)43-38(34)50;1-26-21-6-9-24-14-20(21)19-4-2-17(12-22(19)26)18-3-5-23(25-13-18)27-10-7-16(15-28)8-11-27;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20/h2-6,8,10,13,20-23,25,34H,7,9,11-12,14-19,24H2,1H3,(H,43,49,50);2-6,9,12-16H,7-8,10-11H2,1H3;1-2,9,13,18H,3-8H2,(H,19,22,23)
• InChIKey: FKRDOEMQPTUYIV-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 273.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1409.62
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidine-4-carbaldehyde?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidine-4-carbaldehyde (CID 167567102) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidine-4-carbaldehyde.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidine-4-carbaldehyde?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidine-4-carbaldehyde is Cn1c2ccncc2c2ccc(-c3ccc(N4CCC(C=O)CC4)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(N4CCC(CN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)nc3)cc21.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidine-4-carbaldehyde?

The InChIKey is FKRDOEMQPTUYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N8O4.C23H22N4O.C17H18N4O4/c1-44-33-10-13-41-23-32(33)29-5-2-26(20-35(29)44)27-3-8-36(42-22-27)47-14-11-25(12-15-47)24-45-16-18-46(19-17-45)28-4-6-30-31(21-28)40(52)48(39(30)51)34-7-9-37(49)43-38(34)50;1-26-21-6-9-24-14-20(21)19-4-2-17(12-22(19)26)18-3-5-23(25-13-18)27-10-7-16(15-28)8-11-27;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20/h2-6,8,10,13,20-23,25,34H,7,9,11-12,14-19,24H2,1H3,(H,43,49,50);2-6,9,12-16H,7-8,10-11H2,1H3;1-2,9,13,18H,3-8H2,(H,19,22,23).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidine-4-carbaldehyde?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidine-4-carbaldehyde has a molecular weight of 1409.62 g/mol, XLogP of 7.93, 11 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 167567102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).