4-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile

C26H24N4O2 — CID 144996879

About 4-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile

4-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 144996879) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile
• PubChem CID: 144996879
• Molecular Formula: C26H24N4O2
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.19
• IUPAC Name: 4-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile
• SMILES: COc1cc(-c2ccc(C#N)cc2)c(-c2ccc(CN3CCOCC3)cc2)n2cncc12
• InChI: InChI=1S/C26H24N4O2/c1-31-25-14-23(21-6-2-19(15-27)3-7-21)26(30-18-28-16-24(25)30)22-8-4-20(5-9-22)17-29-10-12-32-13-11-29/h2-9,14,16,18H,10-13,17H2,1H3
• InChIKey: LESOHZHWQFMGGL-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 62.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile?

The IUPAC name of 4-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 144996879) is 4-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile.

What is the SMILES notation for 4-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile?

The canonical SMILES for 4-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile is COc1cc(-c2ccc(C#N)cc2)c(-c2ccc(CN3CCOCC3)cc2)n2cncc12.

What is the InChIKey of 4-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile?

The InChIKey is LESOHZHWQFMGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-31-25-14-23(21-6-2-19(15-27)3-7-21)26(30-18-28-16-24(25)30)22-8-4-20(5-9-22)17-29-10-12-32-13-11-29/h2-9,14,16,18H,10-13,17H2,1H3.

What are the key properties of 4-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile?

4-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 424.50 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 144996879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).