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

C30H36N6O4 — CID 170548175

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

5-[[3-[3-cyclopropyl-4-(1-methylpiperidin-3-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 170548175) has the molecular formula C30H36N6O4 and a molecular weight of 544.66 g/mol. Its IUPAC name is 5-[[3-[3-cyclopropyl-4-(1-methylpiperidin-3-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[[3-[3-cyclopropyl-4-(1-methylpiperidin-3-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 170548175
• Molecular Formula: C30H36N6O4
• Molecular Weight: 544.66 g/mol
• Exact Mass: 544.28
• IUPAC Name: 5-[[3-[3-cyclopropyl-4-(1-methylpiperidin-3-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: CN1CCCC(c2cn(C3CC(CNc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nc2C2CC2)C1
• InChI: InChI=1S/C30H36N6O4/c1-34-10-2-3-19(15-34)24-16-35(33-27(24)18-4-5-18)21-11-17(12-21)14-31-20-6-7-22-23(13-20)30(40)36(29(22)39)25-8-9-26(37)32-28(25)38/h6-7,13,16-19,21,25,31H,2-5,8-12,14-15H2,1H3,(H,32,37,38)
• InChIKey: APRHYDQXGNWNLV-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 116.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.66
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[3-cyclopropyl-4-(1-methylpiperidin-3-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[[3-[3-cyclopropyl-4-(1-methylpiperidin-3-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 170548175) is 5-[[3-[3-cyclopropyl-4-(1-methylpiperidin-3-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

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

The canonical SMILES for 5-[[3-[3-cyclopropyl-4-(1-methylpiperidin-3-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CN1CCCC(c2cn(C3CC(CNc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)nc2C2CC2)C1.

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

The InChIKey is APRHYDQXGNWNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O4/c1-34-10-2-3-19(15-34)24-16-35(33-27(24)18-4-5-18)21-11-17(12-21)14-31-20-6-7-22-23(13-20)30(40)36(29(22)39)25-8-9-26(37)32-28(25)38/h6-7,13,16-19,21,25,31H,2-5,8-12,14-15H2,1H3,(H,32,37,38).

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

5-[[3-[3-cyclopropyl-4-(1-methylpiperidin-3-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 544.66 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-[3-cyclopropyl-4-(1-methylpiperidin-3-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 170548175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).