3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrrolidin-2-one

C22H19F3N8O3 — CID 177263075

About 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrrolidin-2-one

3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 177263075) has the molecular formula C22H19F3N8O3 and a molecular weight of 500.44 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrrolidin-2-one
• PubChem CID: 177263075
• Molecular Formula: C22H19F3N8O3
• Molecular Weight: 500.44 g/mol
• Exact Mass: 500.15
• IUPAC Name: 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrrolidin-2-one
• SMILES: CN1C(=O)C(O)(c2cc(-c3cccc(-c4ccnc(Nc5cnn(C)c5)n4)n3)no2)CC1C(F)(F)F
• InChI: InChI=1S/C22H19F3N8O3/c1-32-11-12(10-27-32)28-20-26-7-6-15(30-20)13-4-3-5-14(29-13)16-8-18(36-31-16)21(35)9-17(22(23,24)25)33(2)19(21)34/h3-8,10-11,17,35H,9H2,1-2H3,(H,26,28,30)
• InChIKey: AQTUCXWABANZQE-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 135.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.44
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrrolidin-2-one?

The IUPAC name of 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrrolidin-2-one (CID 177263075) is 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrrolidin-2-one.

What is the SMILES notation for 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrrolidin-2-one?

The canonical SMILES for 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrrolidin-2-one is CN1C(=O)C(O)(c2cc(-c3cccc(-c4ccnc(Nc5cnn(C)c5)n4)n3)no2)CC1C(F)(F)F.

What is the InChIKey of 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrrolidin-2-one?

The InChIKey is AQTUCXWABANZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N8O3/c1-32-11-12(10-27-32)28-20-26-7-6-15(30-20)13-4-3-5-14(29-13)16-8-18(36-31-16)21(35)9-17(22(23,24)25)33(2)19(21)34/h3-8,10-11,17,35H,9H2,1-2H3,(H,26,28,30).

What are the key properties of 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrrolidin-2-one?

3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 500.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 177263075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).