2-[1,3-dioxo-5-[1-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperidin-4-yl]isoindol-2-yl]-N-formylpentanamide;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C52H63N11O6 — CID 167480278

About 2-[1,3-dioxo-5-[1-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperidin-4-yl]isoindol-2-yl]-N-formylpentanamide;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

2-[1,3-dioxo-5-[1-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperidin-4-yl]isoindol-2-yl]-N-formylpentanamide;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 167480278) has the molecular formula C52H63N11O6 and a molecular weight of 938.15 g/mol. Its IUPAC name is 2-[1,3-dioxo-5-[1-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperidin-4-yl]isoindol-2-yl]-N-formylpentanamide;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[1,3-dioxo-5-[1-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperidin-4-yl]isoindol-2-yl]-N-formylpentanamide;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 167480278
• Molecular Formula: C52H63N11O6
• Molecular Weight: 938.15 g/mol
• Exact Mass: 937.50
• IUPAC Name: 2-[1,3-dioxo-5-[1-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperidin-4-yl]isoindol-2-yl]-N-formylpentanamide;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CCCC(C(=O)NC=O)N1C(=O)c2ccc(C3CCN(C4CCN(C(=O)N5CCC(N6CCCCC6)CC5)CC4)CC3)cc2C1=O.Nc1ncnc2n[nH]c(-c3ccc(Oc4ccccc4)cc3)c12
• InChI: InChI=1S/C35H50N6O5.C17H13N5O/c1-2-6-31(32(43)36-24-42)41-33(44)29-8-7-26(23-30(29)34(41)45)25-9-17-38(18-10-25)28-13-21-40(22-14-28)35(46)39-19-11-27(12-20-39)37-15-4-3-5-16-37;18-16-14-15(21-22-17(14)20-10-19-16)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h7-8,23-25,27-28,31H,2-6,9-22H2,1H3,(H,36,42,43);1-10H,(H3,18,19,20,21,22)
• InChIKey: FZBDSSXGEABKFZ-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 203.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	938.15
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	3
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 2-[1,3-dioxo-5-[1-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperidin-4-yl]isoindol-2-yl]-N-formylpentanamide;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 2-[1,3-dioxo-5-[1-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperidin-4-yl]isoindol-2-yl]-N-formylpentanamide;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 167480278) is 2-[1,3-dioxo-5-[1-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperidin-4-yl]isoindol-2-yl]-N-formylpentanamide;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 2-[1,3-dioxo-5-[1-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperidin-4-yl]isoindol-2-yl]-N-formylpentanamide;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 2-[1,3-dioxo-5-[1-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperidin-4-yl]isoindol-2-yl]-N-formylpentanamide;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is CCCC(C(=O)NC=O)N1C(=O)c2ccc(C3CCN(C4CCN(C(=O)N5CCC(N6CCCCC6)CC5)CC4)CC3)cc2C1=O.Nc1ncnc2n[nH]c(-c3ccc(Oc4ccccc4)cc3)c12.

What is the InChIKey of 2-[1,3-dioxo-5-[1-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperidin-4-yl]isoindol-2-yl]-N-formylpentanamide;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is FZBDSSXGEABKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50N6O5.C17H13N5O/c1-2-6-31(32(43)36-24-42)41-33(44)29-8-7-26(23-30(29)34(41)45)25-9-17-38(18-10-25)28-13-21-40(22-14-28)35(46)39-19-11-27(12-20-39)37-15-4-3-5-16-37;18-16-14-15(21-22-17(14)20-10-19-16)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h7-8,23-25,27-28,31H,2-6,9-22H2,1H3,(H,36,42,43);1-10H,(H3,18,19,20,21,22).

What are the key properties of 2-[1,3-dioxo-5-[1-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperidin-4-yl]isoindol-2-yl]-N-formylpentanamide;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?

2-[1,3-dioxo-5-[1-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperidin-4-yl]isoindol-2-yl]-N-formylpentanamide;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 938.15 g/mol, XLogP of 6.83, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1,3-dioxo-5-[1-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperidin-4-yl]isoindol-2-yl]-N-formylpentanamide;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 167480278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).