(6-ethoxy-3-pyridinyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

C20H23N7O2 — CID 122344873

About (6-ethoxy-3-pyridinyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

(6-ethoxy-3-pyridinyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 122344873) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is (6-ethoxy-3-pyridinyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-ethoxy-3-pyridinyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
• PubChem CID: 122344873
• Molecular Formula: C20H23N7O2
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.19
• IUPAC Name: (6-ethoxy-3-pyridinyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
• SMILES: CCOc1ccc(C(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)cn1
• InChI: InChI=1S/C20H23N7O2/c1-3-29-19-5-4-16(13-21-19)20(28)26-10-8-25(9-11-26)17-12-18(23-14-22-17)27-7-6-15(2)24-27/h4-7,12-14H,3,8-11H2,1-2H3
• InChIKey: HGDVTRPIEDDXOG-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 89.27 Ų
• 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	1.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-3-pyridinyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?

The IUPAC name of (6-ethoxy-3-pyridinyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 122344873) is (6-ethoxy-3-pyridinyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.

What is the SMILES notation for (6-ethoxy-3-pyridinyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?

The canonical SMILES for (6-ethoxy-3-pyridinyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)cn1.

What is the InChIKey of (6-ethoxy-3-pyridinyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?

The InChIKey is HGDVTRPIEDDXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-3-29-19-5-4-16(13-21-19)20(28)26-10-8-25(9-11-26)17-12-18(23-14-22-17)27-7-6-15(2)24-27/h4-7,12-14H,3,8-11H2,1-2H3.

What are the key properties of (6-ethoxy-3-pyridinyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?

(6-ethoxy-3-pyridinyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 393.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6-ethoxy-3-pyridinyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122344873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).