3-[2-oxo-6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione

C32H35N5O3 — CID 164836486

About 3-[2-oxo-6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione

3-[2-oxo-6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione (PubChem CID 164836486) has the molecular formula C32H35N5O3 and a molecular weight of 537.66 g/mol. Its IUPAC name is 3-[2-oxo-6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[2-oxo-6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione
• PubChem CID: 164836486
• Molecular Formula: C32H35N5O3
• Molecular Weight: 537.66 g/mol
• Exact Mass: 537.27
• IUPAC Name: 3-[2-oxo-6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN([C@@H]7CCC78CCC8)CC6)c5)ccc2c34)C(=O)N1
• InChI: InChI=1S/C32H35N5O3/c38-28-8-7-26(30(39)34-28)37-25-6-5-21(23-3-1-4-24(29(23)25)31(37)40)17-20-18-33-36(19-20)22-10-15-35(16-11-22)27-9-14-32(27)12-2-13-32/h1,3-6,18-19,22,26-27H,2,7-17H2,(H,34,38,39)/t26?,27-/m1/s1
• InChIKey: DLUMKNPFXBLEBW-SSYAZFEXSA-N
• XLogP: 4.36
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.66
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione?

The IUPAC name of 3-[2-oxo-6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione (CID 164836486) is 3-[2-oxo-6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[2-oxo-6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[2-oxo-6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione is O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN([C@@H]7CCC78CCC8)CC6)c5)ccc2c34)C(=O)N1.

What is the InChIKey of 3-[2-oxo-6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione?

The InChIKey is DLUMKNPFXBLEBW-SSYAZFEXSA-N. The full InChI is InChI=1S/C32H35N5O3/c38-28-8-7-26(30(39)34-28)37-25-6-5-21(23-3-1-4-24(29(23)25)31(37)40)17-20-18-33-36(19-20)22-10-15-35(16-11-22)27-9-14-32(27)12-2-13-32/h1,3-6,18-19,22,26-27H,2,7-17H2,(H,34,38,39)/t26?,27-/m1/s1.

What are the key properties of 3-[2-oxo-6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione?

3-[2-oxo-6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione has a molecular weight of 537.66 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-oxo-6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 164836486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).