3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile

C30H32N4O2 — CID 68907708

About 3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile

3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile (PubChem CID 68907708) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile.

Molecular Properties

• Compound Name: 3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
• PubChem CID: 68907708
• Molecular Formula: C30H32N4O2
• Molecular Weight: 480.61 g/mol
• Exact Mass: 480.25
• IUPAC Name: 3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
• SMILES: CN1CCCCC1COc1ccc2cc(-c3nn(C4CCCCO4)c4ccc(C#N)cc34)ccc2c1
• InChI: InChI=1S/C30H32N4O2/c1-33-14-4-2-6-25(33)20-36-26-12-11-22-17-24(10-9-23(22)18-26)30-27-16-21(19-31)8-13-28(27)34(32-30)29-7-3-5-15-35-29/h8-13,16-18,25,29H,2-7,14-15,20H2,1H3
• InChIKey: NOEMHLXDEMLXLT-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 63.31 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.61
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile?

The IUPAC name of 3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile (CID 68907708) is 3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile.

What is the SMILES notation for 3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile?

The canonical SMILES for 3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile is CN1CCCCC1COc1ccc2cc(-c3nn(C4CCCCO4)c4ccc(C#N)cc34)ccc2c1.

What is the InChIKey of 3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile?

The InChIKey is NOEMHLXDEMLXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c1-33-14-4-2-6-25(33)20-36-26-12-11-22-17-24(10-9-23(22)18-26)30-27-16-21(19-31)8-13-28(27)34(32-30)29-7-3-5-15-35-29/h8-13,16-18,25,29H,2-7,14-15,20H2,1H3.

What are the key properties of 3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile?

3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile has a molecular weight of 480.61 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile is sourced from PubChem (CID 68907708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).