3-[4-[1-[2-[4-[2,5-dichloro-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione

C36H38Cl2N8O5 — CID 164719816

About 3-[4-[1-[2-[4-[2,5-dichloro-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione

3-[4-[1-[2-[4-[2,5-dichloro-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione (PubChem CID 164719816) has the molecular formula C36H38Cl2N8O5 and a molecular weight of 733.66 g/mol. Its IUPAC name is 3-[4-[1-[2-[4-[2,5-dichloro-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[4-[1-[2-[4-[2,5-dichloro-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione
• PubChem CID: 164719816
• Molecular Formula: C36H38Cl2N8O5
• Molecular Weight: 733.66 g/mol
• Exact Mass: 732.23
• IUPAC Name: 3-[4-[1-[2-[4-[2,5-dichloro-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione
• SMILES: Cn1cc(-c2cc(Cl)c(C(=O)N3CCN(C(=O)CN4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)CC3)cc2Cl)c2cn[nH]c2c1=O
• InChI: InChI=1S/C36H38Cl2N8O5/c1-43-19-27(26-18-39-42-33(26)36(43)51)24-16-29(38)25(17-28(24)37)35(50)46-14-12-45(13-15-46)32(48)20-44-10-8-22(9-11-44)21-2-4-23(5-3-21)40-30-6-7-31(47)41-34(30)49/h2-5,16-19,22,30,40H,6-15,20H2,1H3,(H,39,42)(H,41,47,49)
• InChIKey: JOXGRBDWLGNIKE-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 152.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	733.66
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[2-[4-[2,5-dichloro-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione?

The IUPAC name of 3-[4-[1-[2-[4-[2,5-dichloro-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione (CID 164719816) is 3-[4-[1-[2-[4-[2,5-dichloro-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione.

What is the SMILES notation for 3-[4-[1-[2-[4-[2,5-dichloro-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione?

The canonical SMILES for 3-[4-[1-[2-[4-[2,5-dichloro-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione is Cn1cc(-c2cc(Cl)c(C(=O)N3CCN(C(=O)CN4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)CC3)cc2Cl)c2cn[nH]c2c1=O.

What is the InChIKey of 3-[4-[1-[2-[4-[2,5-dichloro-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione?

The InChIKey is JOXGRBDWLGNIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38Cl2N8O5/c1-43-19-27(26-18-39-42-33(26)36(43)51)24-16-29(38)25(17-28(24)37)35(50)46-14-12-45(13-15-46)32(48)20-44-10-8-22(9-11-44)21-2-4-23(5-3-21)40-30-6-7-31(47)41-34(30)49/h2-5,16-19,22,30,40H,6-15,20H2,1H3,(H,39,42)(H,41,47,49).

What are the key properties of 3-[4-[1-[2-[4-[2,5-dichloro-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione?

3-[4-[1-[2-[4-[2,5-dichloro-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione has a molecular weight of 733.66 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[1-[2-[4-[2,5-dichloro-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione is sourced from PubChem (CID 164719816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).