3-hydroxy-3-[3-[6-[2-(1-imidazo[1,2-a]pyridin-3-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one

C26H24N8O3 — CID 170376967

About 3-hydroxy-3-[3-[6-[2-(1-imidazo[1,2-a]pyridin-3-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one

3-hydroxy-3-[3-[6-[2-(1-imidazo[1,2-a]pyridin-3-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one (PubChem CID 170376967) has the molecular formula C26H24N8O3 and a molecular weight of 496.53 g/mol. Its IUPAC name is 3-hydroxy-3-[3-[6-[2-(1-imidazo[1,2-a]pyridin-3-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-hydroxy-3-[3-[6-[2-(1-imidazo[1,2-a]pyridin-3-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
• PubChem CID: 170376967
• Molecular Formula: C26H24N8O3
• Molecular Weight: 496.53 g/mol
• Exact Mass: 496.20
• IUPAC Name: 3-hydroxy-3-[3-[6-[2-(1-imidazo[1,2-a]pyridin-3-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
• SMILES: CC(Nc1nccc(-c2cccc(-c3cc(C4(O)CCN(C)C4=O)on3)n2)n1)c1cnc2ccccn12
• InChI: InChI=1S/C26H24N8O3/c1-16(21-15-28-23-8-3-4-12-34(21)23)29-25-27-11-9-19(31-25)17-6-5-7-18(30-17)20-14-22(37-32-20)26(36)10-13-33(2)24(26)35/h3-9,11-12,14-16,36H,10,13H2,1-2H3,(H,27,29,31)
• InChIKey: IWCXSQUIZUVLAH-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 134.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.53
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[3-[6-[2-(1-imidazo[1,2-a]pyridin-3-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?

The IUPAC name of 3-hydroxy-3-[3-[6-[2-(1-imidazo[1,2-a]pyridin-3-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one (CID 170376967) is 3-hydroxy-3-[3-[6-[2-(1-imidazo[1,2-a]pyridin-3-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one.

What is the SMILES notation for 3-hydroxy-3-[3-[6-[2-(1-imidazo[1,2-a]pyridin-3-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?

The canonical SMILES for 3-hydroxy-3-[3-[6-[2-(1-imidazo[1,2-a]pyridin-3-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one is CC(Nc1nccc(-c2cccc(-c3cc(C4(O)CCN(C)C4=O)on3)n2)n1)c1cnc2ccccn12.

What is the InChIKey of 3-hydroxy-3-[3-[6-[2-(1-imidazo[1,2-a]pyridin-3-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?

The InChIKey is IWCXSQUIZUVLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O3/c1-16(21-15-28-23-8-3-4-12-34(21)23)29-25-27-11-9-19(31-25)17-6-5-7-18(30-17)20-14-22(37-32-20)26(36)10-13-33(2)24(26)35/h3-9,11-12,14-16,36H,10,13H2,1-2H3,(H,27,29,31).

What are the key properties of 3-hydroxy-3-[3-[6-[2-(1-imidazo[1,2-a]pyridin-3-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one?

3-hydroxy-3-[3-[6-[2-(1-imidazo[1,2-a]pyridin-3-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one has a molecular weight of 496.53 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-3-[3-[6-[2-(1-imidazo[1,2-a]pyridin-3-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170376967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).