7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one

C₂₂H₂₂FN₅O — CID 156888890

About 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one

7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one (PubChem CID 156888890) has the molecular formula C₂₂H₂₂FN₅O and a molecular weight of 391.45 g/mol. Its IUPAC name is 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one.

Molecular Properties

• Compound Name: 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one
• PubChem CID: 156888890
• Molecular Formula: C₂₂H₂₂FN₅O
• Molecular Weight: 391.45 g/mol
• Exact Mass: 391.18
• IUPAC Name: 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one
• SMILES: Cc1cn2cc(-c3ccc4c(=O)n([C@@H]5CCN[C@H](C)C5)cnc4c3)cc(F)c2n1
• InChI: InChI=1S/C22H22FN5O/c1-13-7-17(5-6-24-13)28-12-25-20-9-15(3-4-18(20)22(28)29)16-8-19(23)21-26-14(2)10-27(21)11-16/h3-4,8-13,17,24H,5-7H2,1-2H3/t13-,17-/m1/s1
• InChIKey: KCYMJCJJIVJOAF-CXAGYDPISA-N
• XLogP: 3.47
• TPSA: 64.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.45
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one?

The IUPAC name of 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one (CID 156888890) is 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one.

What is the SMILES notation for 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one?

The canonical SMILES for 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one is Cc1cn2cc(-c3ccc4c(=O)n([C@@H]5CCN[C@H](C)C5)cnc4c3)cc(F)c2n1.

What is the InChIKey of 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one?

The InChIKey is KCYMJCJJIVJOAF-CXAGYDPISA-N. The full InChI is InChI=1S/C22H22FN5O/c1-13-7-17(5-6-24-13)28-12-25-20-9-15(3-4-18(20)22(28)29)16-8-19(23)21-26-14(2)10-27(21)11-16/h3-4,8-13,17,24H,5-7H2,1-2H3/t13-,17-/m1/s1.

What are the key properties of 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one?

7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one has a molecular weight of 391.45 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one is sourced from PubChem (CID 156888890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156888890 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.