2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]acetamide

C28H24FN5O2S — CID 87518831

About 2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]acetamide

2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 87518831) has the molecular formula C28H24FN5O2S and a molecular weight of 513.60 g/mol. Its IUPAC name is 2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 87518831
• Molecular Formula: C28H24FN5O2S
• Molecular Weight: 513.60 g/mol
• Exact Mass: 513.16
• IUPAC Name: 2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]acetamide
• SMILES: O=C(Cc1ccc(-c2cnc3cc(-c4ccccn4)ccn23)cc1F)Nc1ncc(C2CCOCC2)s1
• InChI: InChI=1S/C28H24FN5O2S/c29-22-13-21(24-16-31-26-14-20(6-10-34(24)26)23-3-1-2-9-30-23)5-4-19(22)15-27(35)33-28-32-17-25(37-28)18-7-11-36-12-8-18/h1-6,9-10,13-14,16-18H,7-8,11-12,15H2,(H,32,33,35)
• InChIKey: QPJDXARNFRANPH-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.60
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]acetamide (CID 87518831) is 2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]acetamide is O=C(Cc1ccc(-c2cnc3cc(-c4ccccn4)ccn23)cc1F)Nc1ncc(C2CCOCC2)s1.

What is the InChIKey of 2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]acetamide?

The InChIKey is QPJDXARNFRANPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O2S/c29-22-13-21(24-16-31-26-14-20(6-10-34(24)26)23-3-1-2-9-30-23)5-4-19(22)15-27(35)33-28-32-17-25(37-28)18-7-11-36-12-8-18/h1-6,9-10,13-14,16-18H,7-8,11-12,15H2,(H,32,33,35).

What are the key properties of 2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]acetamide?

2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 513.60 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87518831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).