N-[2-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidin-3-yl]-methylamino]cyclohexyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C41H46N10O6 — CID 166537346

About N-[2-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidin-3-yl]-methylamino]cyclohexyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidin-3-yl]-methylamino]cyclohexyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166537346) has the molecular formula C41H46N10O6 and a molecular weight of 774.88 g/mol. Its IUPAC name is N-[2-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidin-3-yl]-methylamino]cyclohexyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidin-3-yl]-methylamino]cyclohexyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 166537346
• Molecular Formula: C41H46N10O6
• Molecular Weight: 774.88 g/mol
• Exact Mass: 774.36
• IUPAC Name: N-[2-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidin-3-yl]-methylamino]cyclohexyl]-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(C1CCC(N(C)C3CN(c4cccc5c4n(C)c(=O)n5C4CCC(=O)NC4=O)C3)CC1)C2=O
• InChI: InChI=1S/C41H46N10O6/c1-23(2)57-34-18-28-24(17-30(34)44-38(53)29-19-43-50-16-6-15-42-37(29)50)20-49(40(28)55)26-11-9-25(10-12-26)46(3)27-21-48(22-27)31-7-5-8-32-36(31)47(4)41(56)51(32)33-13-14-35(52)45-39(33)54/h5-8,15-19,23,25-27,33H,9-14,20-22H2,1-4H3,(H,44,53)(H,45,52,54)
• InChIKey: ZPRGLBJATWSQIV-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 168.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.88
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidin-3-yl]-methylamino]cyclohexyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[2-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidin-3-yl]-methylamino]cyclohexyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166537346) is N-[2-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidin-3-yl]-methylamino]cyclohexyl]-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-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidin-3-yl]-methylamino]cyclohexyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[2-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidin-3-yl]-methylamino]cyclohexyl]-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(C1CCC(N(C)C3CN(c4cccc5c4n(C)c(=O)n5C4CCC(=O)NC4=O)C3)CC1)C2=O.

What is the InChIKey of N-[2-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidin-3-yl]-methylamino]cyclohexyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ZPRGLBJATWSQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46N10O6/c1-23(2)57-34-18-28-24(17-30(34)44-38(53)29-19-43-50-16-6-15-42-37(29)50)20-49(40(28)55)26-11-9-25(10-12-26)46(3)27-21-48(22-27)31-7-5-8-32-36(31)47(4)41(56)51(32)33-13-14-35(52)45-39(33)54/h5-8,15-19,23,25-27,33H,9-14,20-22H2,1-4H3,(H,44,53)(H,45,52,54).

What are the key properties of N-[2-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidin-3-yl]-methylamino]cyclohexyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[2-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidin-3-yl]-methylamino]cyclohexyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 774.88 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidin-3-yl]-methylamino]cyclohexyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166537346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).