3-amino-6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride

C21H23ClFN7O3S — CID 10164393

About 3-amino-6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride

3-amino-6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride (PubChem CID 10164393) has the molecular formula C21H23ClFN7O3S and a molecular weight of 507.98 g/mol. Its IUPAC name is 3-amino-6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 3-amino-6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
• PubChem CID: 10164393
• Molecular Formula: C21H23ClFN7O3S
• Molecular Weight: 507.98 g/mol
• Exact Mass: 507.13
• IUPAC Name: 3-amino-6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
• SMILES: CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)c(F)c2)CC1.Cl
• InChI: InChI=1S/C21H22FN7O3S.ClH/c1-28-7-9-29(10-8-28)33(31,32)15-4-5-16(17(22)11-15)18-13-25-20(23)19(27-18)21(30)26-14-3-2-6-24-12-14;/h2-6,11-13H,7-10H2,1H3,(H2,23,25)(H,26,30);1H
• InChIKey: LEVIAFRTTGTHSJ-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 134.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.98
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride?

The IUPAC name of 3-amino-6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride (CID 10164393) is 3-amino-6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride.

What is the SMILES notation for 3-amino-6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride?

The canonical SMILES for 3-amino-6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride is CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)c(F)c2)CC1.Cl.

What is the InChIKey of 3-amino-6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride?

The InChIKey is LEVIAFRTTGTHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O3S.ClH/c1-28-7-9-29(10-8-28)33(31,32)15-4-5-16(17(22)11-15)18-13-25-20(23)19(27-18)21(30)26-14-3-2-6-24-12-14;/h2-6,11-13H,7-10H2,1H3,(H2,23,25)(H,26,30);1H.

What are the key properties of 3-amino-6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride?

3-amino-6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride has a molecular weight of 507.98 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 10164393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).