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

C35H40N8O4 — CID 170548106

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

5-[[3-[3-cyclopropyl-4-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 170548106) has the molecular formula C35H40N8O4 and a molecular weight of 636.76 g/mol. Its IUPAC name is 5-[[3-[3-cyclopropyl-4-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[[3-[3-cyclopropyl-4-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 170548106
• Molecular Formula: C35H40N8O4
• Molecular Weight: 636.76 g/mol
• Exact Mass: 636.32
• IUPAC Name: 5-[[3-[3-cyclopropyl-4-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: CN1CCC(Nc2cccc(-c3cn(C4CC(CNc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nc3C3CC3)n2)CC1
• InChI: InChI=1S/C35H40N8O4/c1-41-13-11-22(12-14-41)37-30-4-2-3-28(38-30)27-19-42(40-32(27)21-5-6-21)24-15-20(16-24)18-36-23-7-8-25-26(17-23)35(47)43(34(25)46)29-9-10-31(44)39-33(29)45/h2-4,7-8,17,19-22,24,29,36H,5-6,9-16,18H2,1H3,(H,37,38)(H,39,44,45)
• InChIKey: UJAWWILFJBUTGD-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 141.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	636.76
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	3
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 5-[[3-[3-cyclopropyl-4-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[[3-[3-cyclopropyl-4-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 170548106) is 5-[[3-[3-cyclopropyl-4-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]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-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[[3-[3-cyclopropyl-4-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CN1CCC(Nc2cccc(-c3cn(C4CC(CNc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nc3C3CC3)n2)CC1.

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

The InChIKey is UJAWWILFJBUTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N8O4/c1-41-13-11-22(12-14-41)37-30-4-2-3-28(38-30)27-19-42(40-32(27)21-5-6-21)24-15-20(16-24)18-36-23-7-8-25-26(17-23)35(47)43(34(25)46)29-9-10-31(44)39-33(29)45/h2-4,7-8,17,19-22,24,29,36H,5-6,9-16,18H2,1H3,(H,37,38)(H,39,44,45).

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

5-[[3-[3-cyclopropyl-4-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 636.76 g/mol, XLogP of 3.79, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-[3-cyclopropyl-4-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyrazol-1-yl]cyclobutyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 170548106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).