7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;ethane;5-[4-[3-(3-hydroxypropoxy)propyl]piperazin-1-yl]-2-(2-methylpropanoyl)benzaldehyde;3-methylpiperidine-2,6-dione

C50H66N6O7 — CID 155583547

About 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;ethane;5-[4-[3-(3-hydroxypropoxy)propyl]piperazin-1-yl]-2-(2-methylpropanoyl)benzaldehyde;3-methylpiperidine-2,6-dione

7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;ethane;5-[4-[3-(3-hydroxypropoxy)propyl]piperazin-1-yl]-2-(2-methylpropanoyl)benzaldehyde;3-methylpiperidine-2,6-dione (PubChem CID 155583547) has the molecular formula C50H66N6O7 and a molecular weight of 863.11 g/mol. Its IUPAC name is 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;ethane;5-[4-[3-(3-hydroxypropoxy)propyl]piperazin-1-yl]-2-(2-methylpropanoyl)benzaldehyde;3-methylpiperidine-2,6-dione.

Molecular Properties

• Compound Name: 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;ethane;5-[4-[3-(3-hydroxypropoxy)propyl]piperazin-1-yl]-2-(2-methylpropanoyl)benzaldehyde;3-methylpiperidine-2,6-dione
• PubChem CID: 155583547
• Molecular Formula: C50H66N6O7
• Molecular Weight: 863.11 g/mol
• Exact Mass: 862.50
• IUPAC Name: 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;ethane;5-[4-[3-(3-hydroxypropoxy)propyl]piperazin-1-yl]-2-(2-methylpropanoyl)benzaldehyde;3-methylpiperidine-2,6-dione
• SMILES: CC.CC(C)C(=O)c1ccc(N2CCN(CCCOCCCO)CC2)cc1C=O.CC1CCC(=O)NC1=O.Cn1c2ccncc2c2ccc(-c3ccc(OC4CCC4)nc3)cc21
• InChI: InChI=1S/C21H19N3O.C21H32N2O4.C6H9NO2.C2H6/c1-24-19-9-10-22-13-18(19)17-7-5-14(11-20(17)24)15-6-8-21(23-12-15)25-16-3-2-4-16;1-17(2)21(26)20-6-5-19(15-18(20)16-25)23-10-8-22(9-11-23)7-3-13-27-14-4-12-24;1-4-2-3-5(8)7-6(4)9;1-2/h5-13,16H,2-4H2,1H3;5-6,15-17,24H,3-4,7-14H2,1-2H3;4H,2-3H2,1H3,(H,7,8,9);1-2H3
• InChIKey: FKBJGBGSQMELAO-UHFFFAOYSA-N
• XLogP: 8.05
• TPSA: 156.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	863.11
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;ethane;5-[4-[3-(3-hydroxypropoxy)propyl]piperazin-1-yl]-2-(2-methylpropanoyl)benzaldehyde;3-methylpiperidine-2,6-dione?

The IUPAC name of 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;ethane;5-[4-[3-(3-hydroxypropoxy)propyl]piperazin-1-yl]-2-(2-methylpropanoyl)benzaldehyde;3-methylpiperidine-2,6-dione (CID 155583547) is 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;ethane;5-[4-[3-(3-hydroxypropoxy)propyl]piperazin-1-yl]-2-(2-methylpropanoyl)benzaldehyde;3-methylpiperidine-2,6-dione.

What is the SMILES notation for 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;ethane;5-[4-[3-(3-hydroxypropoxy)propyl]piperazin-1-yl]-2-(2-methylpropanoyl)benzaldehyde;3-methylpiperidine-2,6-dione?

The canonical SMILES for 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;ethane;5-[4-[3-(3-hydroxypropoxy)propyl]piperazin-1-yl]-2-(2-methylpropanoyl)benzaldehyde;3-methylpiperidine-2,6-dione is CC.CC(C)C(=O)c1ccc(N2CCN(CCCOCCCO)CC2)cc1C=O.CC1CCC(=O)NC1=O.Cn1c2ccncc2c2ccc(-c3ccc(OC4CCC4)nc3)cc21.

What is the InChIKey of 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;ethane;5-[4-[3-(3-hydroxypropoxy)propyl]piperazin-1-yl]-2-(2-methylpropanoyl)benzaldehyde;3-methylpiperidine-2,6-dione?

The InChIKey is FKBJGBGSQMELAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O.C21H32N2O4.C6H9NO2.C2H6/c1-24-19-9-10-22-13-18(19)17-7-5-14(11-20(17)24)15-6-8-21(23-12-15)25-16-3-2-4-16;1-17(2)21(26)20-6-5-19(15-18(20)16-25)23-10-8-22(9-11-23)7-3-13-27-14-4-12-24;1-4-2-3-5(8)7-6(4)9;1-2/h5-13,16H,2-4H2,1H3;5-6,15-17,24H,3-4,7-14H2,1-2H3;4H,2-3H2,1H3,(H,7,8,9);1-2H3.

What are the key properties of 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;ethane;5-[4-[3-(3-hydroxypropoxy)propyl]piperazin-1-yl]-2-(2-methylpropanoyl)benzaldehyde;3-methylpiperidine-2,6-dione?

7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;ethane;5-[4-[3-(3-hydroxypropoxy)propyl]piperazin-1-yl]-2-(2-methylpropanoyl)benzaldehyde;3-methylpiperidine-2,6-dione has a molecular weight of 863.11 g/mol, XLogP of 8.05, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6-cyclobutyloxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole;ethane;5-[4-[3-(3-hydroxypropoxy)propyl]piperazin-1-yl]-2-(2-methylpropanoyl)benzaldehyde;3-methylpiperidine-2,6-dione is sourced from PubChem (CID 155583547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).