tert-butyl 3-[6-[3-cyclopropyl-1-[3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutyl]pyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate

C37H41N7O6 — CID 166994620

About tert-butyl 3-[6-[3-cyclopropyl-1-[3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutyl]pyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate

tert-butyl 3-[6-[3-cyclopropyl-1-[3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutyl]pyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate (PubChem CID 166994620) has the molecular formula C37H41N7O6 and a molecular weight of 679.78 g/mol. Its IUPAC name is tert-butyl 3-[6-[3-cyclopropyl-1-[3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutyl]pyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[6-[3-cyclopropyl-1-[3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutyl]pyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate
• PubChem CID: 166994620
• Molecular Formula: C37H41N7O6
• Molecular Weight: 679.78 g/mol
• Exact Mass: 679.31
• IUPAC Name: tert-butyl 3-[6-[3-cyclopropyl-1-[3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutyl]pyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CC(c2cccc(-c3cn(C4CC(CNc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nc3C3CC3)n2)C1
• InChI: InChI=1S/C37H41N7O6/c1-37(2,3)50-36(49)42-17-22(18-42)28-5-4-6-29(39-28)27-19-43(41-32(27)21-7-8-21)24-13-20(14-24)16-38-23-9-10-25-26(15-23)35(48)44(34(25)47)30-11-12-31(45)40-33(30)46/h4-6,9-10,15,19-22,24,30,38H,7-8,11-14,16-18H2,1-3H3,(H,40,45,46)
• InChIKey: CLULDLUJTFIBRW-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 155.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	679.78
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
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 tert-butyl 3-[6-[3-cyclopropyl-1-[3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutyl]pyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate?

The IUPAC name of tert-butyl 3-[6-[3-cyclopropyl-1-[3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutyl]pyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate (CID 166994620) is tert-butyl 3-[6-[3-cyclopropyl-1-[3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutyl]pyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[6-[3-cyclopropyl-1-[3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutyl]pyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate?

The canonical SMILES for tert-butyl 3-[6-[3-cyclopropyl-1-[3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutyl]pyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(c2cccc(-c3cn(C4CC(CNc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nc3C3CC3)n2)C1.

What is the InChIKey of tert-butyl 3-[6-[3-cyclopropyl-1-[3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutyl]pyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate?

The InChIKey is CLULDLUJTFIBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N7O6/c1-37(2,3)50-36(49)42-17-22(18-42)28-5-4-6-29(39-28)27-19-43(41-32(27)21-7-8-21)24-13-20(14-24)16-38-23-9-10-25-26(15-23)35(48)44(34(25)47)30-11-12-31(45)40-33(30)46/h4-6,9-10,15,19-22,24,30,38H,7-8,11-14,16-18H2,1-3H3,(H,40,45,46).

What are the key properties of tert-butyl 3-[6-[3-cyclopropyl-1-[3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutyl]pyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate?

tert-butyl 3-[6-[3-cyclopropyl-1-[3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutyl]pyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate has a molecular weight of 679.78 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[6-[3-cyclopropyl-1-[3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutyl]pyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate is sourced from PubChem (CID 166994620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).