7-[6-[3-[(4-ethylpiperidin-1-yl)methyl]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole

C29H34N4O — CID 170936025

About 7-[6-[3-[(4-ethylpiperidin-1-yl)methyl]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole

7-[6-[3-[(4-ethylpiperidin-1-yl)methyl]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole (PubChem CID 170936025) has the molecular formula C29H34N4O and a molecular weight of 454.62 g/mol. Its IUPAC name is 7-[6-[3-[(4-ethylpiperidin-1-yl)methyl]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 7-[6-[3-[(4-ethylpiperidin-1-yl)methyl]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole
• PubChem CID: 170936025
• Molecular Formula: C29H34N4O
• Molecular Weight: 454.62 g/mol
• Exact Mass: 454.27
• IUPAC Name: 7-[6-[3-[(4-ethylpiperidin-1-yl)methyl]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole
• SMILES: CCC1CCN(CC2CC(Oc3ccc(-c4ccc5c6cnccc6n(C)c5c4)cn3)C2)CC1
• InChI: InChI=1S/C29H34N4O/c1-3-20-9-12-33(13-10-20)19-21-14-24(15-21)34-29-7-5-23(17-31-29)22-4-6-25-26-18-30-11-8-27(26)32(2)28(25)16-22/h4-8,11,16-18,20-21,24H,3,9-10,12-15,19H2,1-2H3
• InChIKey: GKMALKVZBVUWOK-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 43.18 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.62
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[6-[3-[(4-ethylpiperidin-1-yl)methyl]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole?

The IUPAC name of 7-[6-[3-[(4-ethylpiperidin-1-yl)methyl]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole (CID 170936025) is 7-[6-[3-[(4-ethylpiperidin-1-yl)methyl]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole.

What is the SMILES notation for 7-[6-[3-[(4-ethylpiperidin-1-yl)methyl]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole?

The canonical SMILES for 7-[6-[3-[(4-ethylpiperidin-1-yl)methyl]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole is CCC1CCN(CC2CC(Oc3ccc(-c4ccc5c6cnccc6n(C)c5c4)cn3)C2)CC1.

What is the InChIKey of 7-[6-[3-[(4-ethylpiperidin-1-yl)methyl]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole?

The InChIKey is GKMALKVZBVUWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O/c1-3-20-9-12-33(13-10-20)19-21-14-24(15-21)34-29-7-5-23(17-31-29)22-4-6-25-26-18-30-11-8-27(26)32(2)28(25)16-22/h4-8,11,16-18,20-21,24H,3,9-10,12-15,19H2,1-2H3.

What are the key properties of 7-[6-[3-[(4-ethylpiperidin-1-yl)methyl]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole?

7-[6-[3-[(4-ethylpiperidin-1-yl)methyl]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole has a molecular weight of 454.62 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-[3-[(4-ethylpiperidin-1-yl)methyl]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole is sourced from PubChem (CID 170936025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).