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

C24H27N7O4 — CID 170326404

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

3-hydroxy-1-methyl-3-[3-[6-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one (PubChem CID 170326404) has the molecular formula C24H27N7O4 and a molecular weight of 477.53 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
• PubChem CID: 170326404
• Molecular Formula: C24H27N7O4
• Molecular Weight: 477.53 g/mol
• Exact Mass: 477.21
• IUPAC Name: 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
• SMILES: CC(Nc1nccc(-c2cccc(-c3cc(C4(O)CCN(C)C4=O)on3)n2)n1)C(=O)N1CCCC1
• InChI: InChI=1S/C24H27N7O4/c1-15(21(32)31-11-3-4-12-31)26-23-25-10-8-18(28-23)16-6-5-7-17(27-16)19-14-20(35-29-19)24(34)9-13-30(2)22(24)33/h5-8,10,14-15,34H,3-4,9,11-13H2,1-2H3,(H,25,26,28)
• InChIKey: NJEGZENBVDDAAY-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 137.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.53
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one (CID 170326404) is 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one.

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

The canonical SMILES for 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one is CC(Nc1nccc(-c2cccc(-c3cc(C4(O)CCN(C)C4=O)on3)n2)n1)C(=O)N1CCCC1.

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

The InChIKey is NJEGZENBVDDAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O4/c1-15(21(32)31-11-3-4-12-31)26-23-25-10-8-18(28-23)16-6-5-7-17(27-16)19-14-20(35-29-19)24(34)9-13-30(2)22(24)33/h5-8,10,14-15,34H,3-4,9,11-13H2,1-2H3,(H,25,26,28).

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

3-hydroxy-1-methyl-3-[3-[6-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one has a molecular weight of 477.53 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-1-methyl-3-[3-[6-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 170326404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).