4-(6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)benzonitrile

C28H23N5 — CID 57425362

About 4-(6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)benzonitrile

4-(6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)benzonitrile (PubChem CID 57425362) has the molecular formula C28H23N5 and a molecular weight of 429.53 g/mol. Its IUPAC name is 4-(6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)benzonitrile.

Molecular Properties

• Compound Name: 4-(6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)benzonitrile
• PubChem CID: 57425362
• Molecular Formula: C28H23N5
• Molecular Weight: 429.53 g/mol
• Exact Mass: 429.20
• IUPAC Name: 4-(6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)benzonitrile
• SMILES: N#Cc1ccc(-c2nc3cc(-c4ccc5ccccc5c4)cnc3n2C2CCNCC2)cc1
• InChI: InChI=1S/C28H23N5/c29-17-19-5-7-21(8-6-19)27-32-26-16-24(23-10-9-20-3-1-2-4-22(20)15-23)18-31-28(26)33(27)25-11-13-30-14-12-25/h1-10,15-16,18,25,30H,11-14H2
• InChIKey: WYAOUDBFSSWMOR-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 66.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.53
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)benzonitrile?

The IUPAC name of 4-(6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)benzonitrile (CID 57425362) is 4-(6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)benzonitrile.

What is the SMILES notation for 4-(6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)benzonitrile?

The canonical SMILES for 4-(6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)benzonitrile is N#Cc1ccc(-c2nc3cc(-c4ccc5ccccc5c4)cnc3n2C2CCNCC2)cc1.

What is the InChIKey of 4-(6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)benzonitrile?

The InChIKey is WYAOUDBFSSWMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5/c29-17-19-5-7-21(8-6-19)27-32-26-16-24(23-10-9-20-3-1-2-4-22(20)15-23)18-31-28(26)33(27)25-11-13-30-14-12-25/h1-10,15-16,18,25,30H,11-14H2.

What are the key properties of 4-(6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)benzonitrile?

4-(6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)benzonitrile has a molecular weight of 429.53 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)benzonitrile is sourced from PubChem (CID 57425362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).