N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide

C20H23N7O2 — CID 25138091

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide (PubChem CID 25138091) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide
• PubChem CID: 25138091
• Molecular Formula: C20H23N7O2
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.19
• IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide
• SMILES: COC1CN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)C1
• InChI: InChI=1S/C20H23N7O2/c1-12-8-13(2)27(25-12)20-23-17(9-18(24-20)21-14(3)28)16-6-5-7-19(22-16)26-10-15(11-26)29-4/h5-9,15H,10-11H2,1-4H3,(H,21,23,24,28)
• InChIKey: UHHRYINUVNKFTA-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide?

The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide (CID 25138091) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide.

What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide?

The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide is COC1CN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)C1.

What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide?

The InChIKey is UHHRYINUVNKFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-12-8-13(2)27(25-12)20-23-17(9-18(24-20)21-14(3)28)16-6-5-7-19(22-16)26-10-15(11-26)29-4/h5-9,15H,10-11H2,1-4H3,(H,21,23,24,28).

What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide?

N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide has a molecular weight of 393.45 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25138091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).