4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine

C30H33FN6O2 — CID 144996951

About 4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine

4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine (PubChem CID 144996951) has the molecular formula C30H33FN6O2 and a molecular weight of 528.63 g/mol. Its IUPAC name is 4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine.

Molecular Properties

• Compound Name: 4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
• PubChem CID: 144996951
• Molecular Formula: C30H33FN6O2
• Molecular Weight: 528.63 g/mol
• Exact Mass: 528.26
• IUPAC Name: 4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
• SMILES: CN1CCCCC1.COc1cc(-c2ccc(C#N)cc2)c(-c2cnc(N3CCOCC3)c(F)c2)n2cncc12
• InChI: InChI=1S/C24H20FN5O2.C6H13N/c1-31-22-11-19(17-4-2-16(12-26)3-5-17)23(30-15-27-14-21(22)30)18-10-20(25)24(28-13-18)29-6-8-32-9-7-29;1-7-5-3-2-4-6-7/h2-5,10-11,13-15H,6-9H2,1H3;2-6H2,1H3
• InChIKey: OHQSZQRWRGCQAV-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 78.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.63
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine?

The IUPAC name of 4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine (CID 144996951) is 4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine.

What is the SMILES notation for 4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine?

The canonical SMILES for 4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine is CN1CCCCC1.COc1cc(-c2ccc(C#N)cc2)c(-c2cnc(N3CCOCC3)c(F)c2)n2cncc12.

What is the InChIKey of 4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine?

The InChIKey is OHQSZQRWRGCQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2.C6H13N/c1-31-22-11-19(17-4-2-16(12-26)3-5-17)23(30-15-27-14-21(22)30)18-10-20(25)24(28-13-18)29-6-8-32-9-7-29;1-7-5-3-2-4-6-7/h2-5,10-11,13-15H,6-9H2,1H3;2-6H2,1H3.

What are the key properties of 4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine?

4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine has a molecular weight of 528.63 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine is sourced from PubChem (CID 144996951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).