N-[2-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]azetidin-3-yl]methyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C37H38N8O6 — CID 166536917

About N-[2-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]azetidin-3-yl]methyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]azetidin-3-yl]methyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166536917) has the molecular formula C37H38N8O6 and a molecular weight of 690.76 g/mol. Its IUPAC name is N-[2-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]azetidin-3-yl]methyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]azetidin-3-yl]methyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 166536917
• Molecular Formula: C37H38N8O6
• Molecular Weight: 690.76 g/mol
• Exact Mass: 690.29
• IUPAC Name: N-[2-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]azetidin-3-yl]methyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)Oc1cc2c(cc1NC(=O)c1cnn3cccnc13)CN(CC1CN(CCc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)C1)C2=O
• InChI: InChI=1S/C37H38N8O6/c1-21(2)51-31-14-27-25(13-29(31)40-34(47)28-15-39-45-10-3-9-38-33(28)45)19-43(36(27)49)18-23-16-42(17-23)11-8-22-4-5-26-24(12-22)20-44(37(26)50)30-6-7-32(46)41-35(30)48/h3-5,9-10,12-15,21,23,30H,6-8,11,16-20H2,1-2H3,(H,40,47)(H,41,46,48)
• InChIKey: ZNDUEOXTBWFACZ-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 158.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	690.76
LogP ≤ 5	2.66
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 N-[2-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]azetidin-3-yl]methyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[2-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]azetidin-3-yl]methyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166536917) is N-[2-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]azetidin-3-yl]methyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[2-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]azetidin-3-yl]methyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[2-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]azetidin-3-yl]methyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)Oc1cc2c(cc1NC(=O)c1cnn3cccnc13)CN(CC1CN(CCc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)C1)C2=O.

What is the InChIKey of N-[2-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]azetidin-3-yl]methyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ZNDUEOXTBWFACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N8O6/c1-21(2)51-31-14-27-25(13-29(31)40-34(47)28-15-39-45-10-3-9-38-33(28)45)19-43(36(27)49)18-23-16-42(17-23)11-8-22-4-5-26-24(12-22)20-44(37(26)50)30-6-7-32(46)41-35(30)48/h3-5,9-10,12-15,21,23,30H,6-8,11,16-20H2,1-2H3,(H,40,47)(H,41,46,48).

What are the key properties of N-[2-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]azetidin-3-yl]methyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[2-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]azetidin-3-yl]methyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 690.76 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]azetidin-3-yl]methyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166536917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).