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

C25H28N8O4 — CID 170377324

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

3-hydroxy-3-[3-[6-[2-[[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one (PubChem CID 170377324) has the molecular formula C25H28N8O4 and a molecular weight of 504.55 g/mol. Its IUPAC name is 3-hydroxy-3-[3-[6-[2-[[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]amino]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-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
• PubChem CID: 170377324
• Molecular Formula: C25H28N8O4
• Molecular Weight: 504.55 g/mol
• Exact Mass: 504.22
• IUPAC Name: 3-hydroxy-3-[3-[6-[2-[[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
• SMILES: Cc1nn(CC(C)(C)O)cc1Nc1nccc(-c2cccc(-c3cc(C4(O)CCN(C)C4=O)on3)n2)n1
• InChI: InChI=1S/C25H28N8O4/c1-15-20(13-33(30-15)14-24(2,3)35)29-23-26-10-8-18(28-23)16-6-5-7-17(27-16)19-12-21(37-31-19)25(36)9-11-32(4)22(25)34/h5-8,10,12-13,35-36H,9,11,14H2,1-4H3,(H,26,28,29)
• InChIKey: ZCZSOBGZPXJZFC-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 155.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.55
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[3-[6-[2-[[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]amino]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-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one (CID 170377324) is 3-hydroxy-3-[3-[6-[2-[[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]amino]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-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]amino]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-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one is Cc1nn(CC(C)(C)O)cc1Nc1nccc(-c2cccc(-c3cc(C4(O)CCN(C)C4=O)on3)n2)n1.

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

The InChIKey is ZCZSOBGZPXJZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O4/c1-15-20(13-33(30-15)14-24(2,3)35)29-23-26-10-8-18(28-23)16-6-5-7-17(27-16)19-12-21(37-31-19)25(36)9-11-32(4)22(25)34/h5-8,10,12-13,35-36H,9,11,14H2,1-4H3,(H,26,28,29).

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

3-hydroxy-3-[3-[6-[2-[[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one has a molecular weight of 504.55 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-3-[3-[6-[2-[[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170377324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).