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

C32H29N7O4 — CID 170548002

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

5-[[3-[3-cyclopropyl-4-(1,6-naphthyridin-5-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 170548002) has the molecular formula C32H29N7O4 and a molecular weight of 575.63 g/mol. Its IUPAC name is 5-[[3-[3-cyclopropyl-4-(1,6-naphthyridin-5-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-(1,6-naphthyridin-5-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 170548002
• Molecular Formula: C32H29N7O4
• Molecular Weight: 575.63 g/mol
• Exact Mass: 575.23
• IUPAC Name: 5-[[3-[3-cyclopropyl-4-(1,6-naphthyridin-5-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(NCC4CC(n5cc(-c6nccc7ncccc67)c(C6CC6)n5)C4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C32H29N7O4/c40-27-8-7-26(30(41)36-27)39-31(42)21-6-5-19(14-23(21)32(39)43)35-15-17-12-20(13-17)38-16-24(28(37-38)18-3-4-18)29-22-2-1-10-33-25(22)9-11-34-29/h1-2,5-6,9-11,14,16-18,20,26,35H,3-4,7-8,12-13,15H2,(H,36,40,41)
• InChIKey: FAYNZFRXIZKPNF-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 139.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.63
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-(1,6-naphthyridin-5-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-(1,6-naphthyridin-5-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 170548002) is 5-[[3-[3-cyclopropyl-4-(1,6-naphthyridin-5-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-(1,6-naphthyridin-5-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-(1,6-naphthyridin-5-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(NCC4CC(n5cc(-c6nccc7ncccc67)c(C6CC6)n5)C4)cc3C2=O)C(=O)N1.

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

The InChIKey is FAYNZFRXIZKPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N7O4/c40-27-8-7-26(30(41)36-27)39-31(42)21-6-5-19(14-23(21)32(39)43)35-15-17-12-20(13-17)38-16-24(28(37-38)18-3-4-18)29-22-2-1-10-33-25(22)9-11-34-29/h1-2,5-6,9-11,14,16-18,20,26,35H,3-4,7-8,12-13,15H2,(H,36,40,41).

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

5-[[3-[3-cyclopropyl-4-(1,6-naphthyridin-5-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 575.63 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-[3-cyclopropyl-4-(1,6-naphthyridin-5-yl)pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 170548002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).