N-[2-[2-[1-[[1-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]ethyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C43H49N9O7 — CID 166536643

About N-[2-[2-[1-[[1-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]ethyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[2-[1-[[1-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]ethyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166536643) has the molecular formula C43H49N9O7 and a molecular weight of 803.92 g/mol. Its IUPAC name is N-[2-[2-[1-[[1-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]ethyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[1-[[1-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]ethyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 166536643
• Molecular Formula: C43H49N9O7
• Molecular Weight: 803.92 g/mol
• Exact Mass: 803.38
• IUPAC Name: N-[2-[2-[1-[[1-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]ethyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNC(=O)C(CCC=O)N1C(=O)c2ccc(N3CC(CN4CCC(CCN5Cc6cc(NC(=O)c7cnn8cccnc78)c(OC(C)C)cc6C5=O)CC4)C3)cc2C1=O
• InChI: InChI=1S/C43H49N9O7/c1-26(2)59-37-20-32-29(18-35(37)47-39(54)34-21-46-51-13-5-12-45-38(34)51)25-49(41(32)56)16-11-27-9-14-48(15-10-27)22-28-23-50(24-28)30-7-8-31-33(19-30)43(58)52(42(31)57)36(6-4-17-53)40(55)44-3/h5,7-8,12-13,17-21,26-28,36H,4,6,9-11,14-16,22-25H2,1-3H3,(H,44,55)(H,47,54)
• InChIKey: ICTHPUKZVKPOON-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 178.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.92
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-[2-[1-[[1-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]ethyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166536643) is N-[2-[2-[1-[[1-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]ethyl]-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-[2-[1-[[1-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]ethyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[2-[2-[1-[[1-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]ethyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)C(CCC=O)N1C(=O)c2ccc(N3CC(CN4CCC(CCN5Cc6cc(NC(=O)c7cnn8cccnc78)c(OC(C)C)cc6C5=O)CC4)C3)cc2C1=O.

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

The InChIKey is ICTHPUKZVKPOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49N9O7/c1-26(2)59-37-20-32-29(18-35(37)47-39(54)34-21-46-51-13-5-12-45-38(34)51)25-49(41(32)56)16-11-27-9-14-48(15-10-27)22-28-23-50(24-28)30-7-8-31-33(19-30)43(58)52(42(31)57)36(6-4-17-53)40(55)44-3/h5,7-8,12-13,17-21,26-28,36H,4,6,9-11,14-16,22-25H2,1-3H3,(H,44,55)(H,47,54).

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

N-[2-[2-[1-[[1-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]ethyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 803.92 g/mol, XLogP of 3.65, 15 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[1-[[1-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]ethyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166536643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).