N-[2-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-4,6-dimethyl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C40H46N8O6 — CID 166537139

About N-[2-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-4,6-dimethyl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-4,6-dimethyl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166537139) has the molecular formula C40H46N8O6 and a molecular weight of 734.86 g/mol. Its IUPAC name is N-[2-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-4,6-dimethyl-5H-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]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-4,6-dimethyl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 166537139
• Molecular Formula: C40H46N8O6
• Molecular Weight: 734.86 g/mol
• Exact Mass: 734.35
• IUPAC Name: N-[2-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-4,6-dimethyl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC1=Cn2ncc(C(=O)Nc3cc4c(cc3OC(C)C)C(=O)N(C3CCN(CCc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC3)C4)c2N(C)C1
• InChI: InChI=1S/C40H46N8O6/c1-23(2)54-34-17-30-27(16-32(34)42-36(50)31-18-41-48-20-24(3)19-44(4)38(31)48)21-46(40(30)53)28-10-13-45(14-11-28)12-9-25-5-6-29-26(15-25)22-47(39(29)52)33-7-8-35(49)43-37(33)51/h5-6,15-18,20,23,28,33H,7-14,19,21-22H2,1-4H3,(H,42,50)(H,43,49,51)
• InChIKey: BIZSSKGUCMDNIW-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 149.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	734.86
LogP ≤ 5	3.66
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]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-4,6-dimethyl-5H-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]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-4,6-dimethyl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166537139) is N-[2-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-4,6-dimethyl-5H-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]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-4,6-dimethyl-5H-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]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-4,6-dimethyl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1=Cn2ncc(C(=O)Nc3cc4c(cc3OC(C)C)C(=O)N(C3CCN(CCc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC3)C4)c2N(C)C1.

What is the InChIKey of N-[2-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-4,6-dimethyl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is BIZSSKGUCMDNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46N8O6/c1-23(2)54-34-17-30-27(16-32(34)42-36(50)31-18-41-48-20-24(3)19-44(4)38(31)48)21-46(40(30)53)28-10-13-45(14-11-28)12-9-25-5-6-29-26(15-25)22-47(39(29)52)33-7-8-35(49)43-37(33)51/h5-6,15-18,20,23,28,33H,7-14,19,21-22H2,1-4H3,(H,42,50)(H,43,49,51).

What are the key properties of N-[2-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-4,6-dimethyl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[2-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-4,6-dimethyl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 734.86 g/mol, XLogP of 3.66, 9 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]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-4,6-dimethyl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166537139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).