2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-(3-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione

C29H30N6O4 — CID 170548004

About 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-(3-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-(3-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione (PubChem CID 170548004) has the molecular formula C29H30N6O4 and a molecular weight of 526.60 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-(3-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-(3-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione
• PubChem CID: 170548004
• Molecular Formula: C29H30N6O4
• Molecular Weight: 526.60 g/mol
• Exact Mass: 526.23
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-(3-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione
• SMILES: Cc1cccnc1-c1cnn(C2CC(CCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)c1
• InChI: InChI=1S/C29H30N6O4/c1-17-4-2-11-31-26(17)19-15-32-34(16-19)21-12-18(13-21)5-3-10-30-20-6-7-22-23(14-20)29(39)35(28(22)38)24-8-9-25(36)33-27(24)37/h2,4,6-7,11,14-16,18,21,24,30H,3,5,8-10,12-13H2,1H3,(H,33,36,37)
• InChIKey: SOGXEODCIVJPEB-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 126.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.60
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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-[3-[3-[4-(3-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-(3-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione (CID 170548004) is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-(3-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-(3-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-(3-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione is Cc1cccnc1-c1cnn(C2CC(CCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)c1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-(3-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione?

The InChIKey is SOGXEODCIVJPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O4/c1-17-4-2-11-31-26(17)19-15-32-34(16-19)21-12-18(13-21)5-3-10-30-20-6-7-22-23(14-20)29(39)35(28(22)38)24-8-9-25(36)33-27(24)37/h2,4,6-7,11,14-16,18,21,24,30H,3,5,8-10,12-13H2,1H3,(H,33,36,37).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-(3-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-(3-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione has a molecular weight of 526.60 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-(3-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione is sourced from PubChem (CID 170548004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).