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

C23H23N9O3 — CID 170326891

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

(3R)-3-[3-[6-[2-[[1-(azetidin-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 170326891) has the molecular formula C23H23N9O3 and a molecular weight of 473.50 g/mol. Its IUPAC name is (3R)-3-[3-[6-[2-[[1-(azetidin-3-yl)pyrazol-4-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-[[1-(azetidin-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
• PubChem CID: 170326891
• Molecular Formula: C23H23N9O3
• Molecular Weight: 473.50 g/mol
• Exact Mass: 473.19
• IUPAC Name: (3R)-3-[3-[6-[2-[[1-(azetidin-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
• SMILES: CN1CC[C@@](O)(c2cc(-c3cccc(-c4ccnc(Nc5cnn(C6CNC6)c5)n4)n3)no2)C1=O
• InChI: InChI=1S/C23H23N9O3/c1-31-8-6-23(34,21(31)33)20-9-19(30-35-20)17-4-2-3-16(28-17)18-5-7-25-22(29-18)27-14-10-26-32(13-14)15-11-24-12-15/h2-5,7,9-10,13,15,24,34H,6,8,11-12H2,1H3,(H,25,27,29)/t23-/m1/s1
• InChIKey: SJMMAUODZOVKNE-HSZRJFAPSA-N
• XLogP: 1.33
• TPSA: 147.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.50
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[6-[2-[[1-(azetidin-3-yl)pyrazol-4-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-[[1-(azetidin-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 170326891) is (3R)-3-[3-[6-[2-[[1-(azetidin-3-yl)pyrazol-4-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-[[1-(azetidin-3-yl)pyrazol-4-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-[[1-(azetidin-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is CN1CC[C@@](O)(c2cc(-c3cccc(-c4ccnc(Nc5cnn(C6CNC6)c5)n4)n3)no2)C1=O.

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

The InChIKey is SJMMAUODZOVKNE-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23N9O3/c1-31-8-6-23(34,21(31)33)20-9-19(30-35-20)17-4-2-3-16(28-17)18-5-7-25-22(29-18)27-14-10-26-32(13-14)15-11-24-12-15/h2-5,7,9-10,13,15,24,34H,6,8,11-12H2,1H3,(H,25,27,29)/t23-/m1/s1.

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

(3R)-3-[3-[6-[2-[[1-(azetidin-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 473.50 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[3-[6-[2-[[1-(azetidin-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170326891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).