1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone

C21H19Cl2N5O2 — CID 167633645

About 1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone

1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone (PubChem CID 167633645) has the molecular formula C21H19Cl2N5O2 and a molecular weight of 444.32 g/mol. Its IUPAC name is 1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
• PubChem CID: 167633645
• Molecular Formula: C21H19Cl2N5O2
• Molecular Weight: 444.32 g/mol
• Exact Mass: 443.09
• IUPAC Name: 1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
• SMILES: Nc1ncc(-c2ccc(Cl)cc2Cl)nc1C(=O)Cc1cnccc1N1CCOCC1
• InChI: InChI=1S/C21H19Cl2N5O2/c22-14-1-2-15(16(23)10-14)17-12-26-21(24)20(27-17)19(29)9-13-11-25-4-3-18(13)28-5-7-30-8-6-28/h1-4,10-12H,5-9H2,(H2,24,26)
• InChIKey: ODWJGROKSVXUQJ-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 94.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.32
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?

The IUPAC name of 1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone (CID 167633645) is 1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone.

What is the SMILES notation for 1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?

The canonical SMILES for 1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone is Nc1ncc(-c2ccc(Cl)cc2Cl)nc1C(=O)Cc1cnccc1N1CCOCC1.

What is the InChIKey of 1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?

The InChIKey is ODWJGROKSVXUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O2/c22-14-1-2-15(16(23)10-14)17-12-26-21(24)20(27-17)19(29)9-13-11-25-4-3-18(13)28-5-7-30-8-6-28/h1-4,10-12H,5-9H2,(H2,24,26).

What are the key properties of 1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?

1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone has a molecular weight of 444.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 167633645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).