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

C24H27N9O3 — CID 177263085

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

(3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 177263085) has the molecular formula C24H27N9O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is (3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: (3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
• PubChem CID: 177263085
• Molecular Formula: C24H27N9O3
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.22
• IUPAC Name: (3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
• SMILES: CN(C)Cc1cc(Nc2nccc(-c3cccc(-c4cc([C@]5(O)CCN(C)C5=O)on4)n3)n2)nn1C
• InChI: InChI=1S/C24H27N9O3/c1-31(2)14-15-12-21(29-33(15)4)28-23-25-10-8-18(27-23)16-6-5-7-17(26-16)19-13-20(36-30-19)24(35)9-11-32(3)22(24)34/h5-8,10,12-13,35H,9,11,14H2,1-4H3,(H,25,27,28,29)/t24-/m1/s1
• InChIKey: QXROMZBLKYLXRS-XMMPIXPASA-N
• XLogP: 1.78
• TPSA: 138.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of (3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 177263085) is (3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.

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

The canonical SMILES for (3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is CN(C)Cc1cc(Nc2nccc(-c3cccc(-c4cc([C@]5(O)CCN(C)C5=O)on4)n3)n2)nn1C.

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

The InChIKey is QXROMZBLKYLXRS-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27N9O3/c1-31(2)14-15-12-21(29-33(15)4)28-23-25-10-8-18(27-23)16-6-5-7-17(26-16)19-13-20(36-30-19)24(35)9-11-32(3)22(24)34/h5-8,10,12-13,35H,9,11,14H2,1-4H3,(H,25,27,28,29)/t24-/m1/s1.

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

(3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 489.54 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 177263085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).