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

C25H26N8O3 — CID 170380551

About (3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-2-pyridinyl]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]-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 170380551) has the molecular formula C25H26N8O3 and a molecular weight of 486.54 g/mol. Its IUPAC name is (3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-2-pyridinyl]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]-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
• PubChem CID: 170380551
• Molecular Formula: C25H26N8O3
• Molecular Weight: 486.54 g/mol
• Exact Mass: 486.21
• IUPAC Name: (3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
• SMILES: CN(C)Cc1ccc(Nc2nccc(-c3cccc(-c4cc([C@]5(O)CCN(C)C5=O)on4)n3)n2)nc1
• InChI: InChI=1S/C25H26N8O3/c1-32(2)15-16-7-8-22(27-14-16)30-24-26-11-9-19(29-24)17-5-4-6-18(28-17)20-13-21(36-31-20)25(35)10-12-33(3)23(25)34/h4-9,11,13-14,35H,10,12,15H2,1-3H3,(H,26,27,29,30)/t25-/m1/s1
• InChIKey: FISUXGNGAQWCGT-RUZDIDTESA-N
• XLogP: 2.44
• TPSA: 133.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.54
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-2-pyridinyl]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]-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 170380551) is (3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-2-pyridinyl]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]-2-pyridinyl]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]-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is CN(C)Cc1ccc(Nc2nccc(-c3cccc(-c4cc([C@]5(O)CCN(C)C5=O)on4)n3)n2)nc1.

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

The InChIKey is FISUXGNGAQWCGT-RUZDIDTESA-N. The full InChI is InChI=1S/C25H26N8O3/c1-32(2)15-16-7-8-22(27-14-16)30-24-26-11-9-19(29-24)17-5-4-6-18(28-17)20-13-21(36-31-20)25(35)10-12-33(3)23(25)34/h4-9,11,13-14,35H,10,12,15H2,1-3H3,(H,26,27,29,30)/t25-/m1/s1.

What are the key properties of (3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-2-pyridinyl]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]-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 486.54 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170380551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).