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

C34H39N7O4 — CID 166993575

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

2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione (PubChem CID 166993575) has the molecular formula C34H39N7O4 and a molecular weight of 609.73 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-[6-(1-methylpiperidin-4-yl)-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-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione
• PubChem CID: 166993575
• Molecular Formula: C34H39N7O4
• Molecular Weight: 609.73 g/mol
• Exact Mass: 609.31
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione
• SMILES: CN1CCC(c2cccc(-c3cnn(C4CC(CCCNc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)c3)n2)CC1
• InChI: InChI=1S/C34H39N7O4/c1-39-14-11-22(12-15-39)28-5-2-6-29(37-28)23-19-36-40(20-23)25-16-21(17-25)4-3-13-35-24-7-8-26-27(18-24)34(45)41(33(26)44)30-9-10-31(42)38-32(30)43/h2,5-8,18-22,25,30,35H,3-4,9-17H2,1H3,(H,38,42,43)
• InChIKey: FPFQZBSNPCCRFQ-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 129.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	609.73
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-[6-(1-methylpiperidin-4-yl)-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-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione (CID 166993575) is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-[6-(1-methylpiperidin-4-yl)-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-[6-(1-methylpiperidin-4-yl)-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-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione is CN1CCC(c2cccc(-c3cnn(C4CC(CCCNc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)c3)n2)CC1.

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

The InChIKey is FPFQZBSNPCCRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N7O4/c1-39-14-11-22(12-15-39)28-5-2-6-29(37-28)23-19-36-40(20-23)25-16-21(17-25)4-3-13-35-24-7-8-26-27(18-24)34(45)41(33(26)44)30-9-10-31(42)38-32(30)43/h2,5-8,18-22,25,30,35H,3-4,9-17H2,1H3,(H,38,42,43).

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

2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione has a molecular weight of 609.73 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[4-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrazol-1-yl]cyclobutyl]propylamino]isoindole-1,3-dione is sourced from PubChem (CID 166993575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).