6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile

C29H24N6O — CID 154604405

About 6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile

6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile (PubChem CID 154604405) has the molecular formula C29H24N6O and a molecular weight of 472.55 g/mol. Its IUPAC name is 6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile
• PubChem CID: 154604405
• Molecular Formula: C29H24N6O
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.20
• IUPAC Name: 6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile
• SMILES: CC(C)(COc1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1cccc(C#N)n1
• InChI: InChI=1S/C29H24N6O/c1-29(2,24-12-6-11-22(17-30)33-24)18-36-28-27(31)34-25(19-8-4-3-5-9-19)26(35-28)21-13-14-23-20(16-21)10-7-15-32-23/h3-16H,18H2,1-2H3,(H2,31,34)
• InChIKey: FXIIKQFVTKGOEF-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 110.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile?

The IUPAC name of 6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile (CID 154604405) is 6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile?

The canonical SMILES for 6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile is CC(C)(COc1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1cccc(C#N)n1.

What is the InChIKey of 6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile?

The InChIKey is FXIIKQFVTKGOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O/c1-29(2,24-12-6-11-22(17-30)33-24)18-36-28-27(31)34-25(19-8-4-3-5-9-19)26(35-28)21-13-14-23-20(16-21)10-7-15-32-23/h3-16H,18H2,1-2H3,(H2,31,34).

What are the key properties of 6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile?

6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile has a molecular weight of 472.55 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 154604405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).