2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-(4-methoxyphenyl)pyridine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

C35H33N7O6 — CID 155469877

About 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-(4-methoxyphenyl)pyridine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-(4-methoxyphenyl)pyridine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 155469877) has the molecular formula C35H33N7O6 and a molecular weight of 647.69 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-(4-methoxyphenyl)pyridine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-(4-methoxyphenyl)pyridine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• PubChem CID: 155469877
• Molecular Formula: C35H33N7O6
• Molecular Weight: 647.69 g/mol
• Exact Mass: 647.25
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-(4-methoxyphenyl)pyridine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• SMILES: COc1ccc(-c2cc(C(=O)N3CCC(n4cc(CNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cn4)CC3)ccn2)cc1
• InChI: InChI=1S/C35H33N7O6/c1-48-25-7-5-22(6-8-25)28-17-23(11-14-36-28)33(45)40-15-12-24(13-16-40)41-20-21(19-38-41)18-37-27-4-2-3-26-31(27)35(47)42(34(26)46)29-9-10-30(43)39-32(29)44/h2-8,11,14,17,19-20,24,29,37H,9-10,12-13,15-16,18H2,1H3,(H,39,43,44)
• InChIKey: RYRSEHLOUPATLX-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 155.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	647.69
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-(4-methoxyphenyl)pyridine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-(4-methoxyphenyl)pyridine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 155469877) is 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-(4-methoxyphenyl)pyridine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-(4-methoxyphenyl)pyridine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-(4-methoxyphenyl)pyridine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is COc1ccc(-c2cc(C(=O)N3CCC(n4cc(CNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cn4)CC3)ccn2)cc1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-(4-methoxyphenyl)pyridine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The InChIKey is RYRSEHLOUPATLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N7O6/c1-48-25-7-5-22(6-8-25)28-17-23(11-14-36-28)33(45)40-15-12-24(13-16-40)41-20-21(19-38-41)18-37-27-4-2-3-26-31(27)35(47)42(34(26)46)29-9-10-30(43)39-32(29)44/h2-8,11,14,17,19-20,24,29,37H,9-10,12-13,15-16,18H2,1H3,(H,39,43,44).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-(4-methoxyphenyl)pyridine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-(4-methoxyphenyl)pyridine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 647.69 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-(4-methoxyphenyl)pyridine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 155469877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).