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

C22H26ClN7O3S — CID 10207407

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

3-amino-6-[3-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride (PubChem CID 10207407) has the molecular formula C22H26ClN7O3S and a molecular weight of 504.02 g/mol. Its IUPAC name is 3-amino-6-[3-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 3-amino-6-[3-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
• PubChem CID: 10207407
• Molecular Formula: C22H26ClN7O3S
• Molecular Weight: 504.02 g/mol
• Exact Mass: 503.15
• IUPAC Name: 3-amino-6-[3-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
• SMILES: Cc1cc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)ccc1S(=O)(=O)N1CCN(C)CC1.Cl
• InChI: InChI=1S/C22H25N7O3S.ClH/c1-15-12-16(5-6-19(15)33(31,32)29-10-8-28(2)9-11-29)18-14-25-21(23)20(27-18)22(30)26-17-4-3-7-24-13-17;/h3-7,12-14H,8-11H2,1-2H3,(H2,23,25)(H,26,30);1H
• InChIKey: KPQZRCRBCVAVOC-UHFFFAOYSA-N
• XLogP: 2.04
• 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	504.02
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-amino-6-[3-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride (CID 10207407) is 3-amino-6-[3-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride.

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

The canonical SMILES for 3-amino-6-[3-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride is Cc1cc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)ccc1S(=O)(=O)N1CCN(C)CC1.Cl.

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

The InChIKey is KPQZRCRBCVAVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3S.ClH/c1-15-12-16(5-6-19(15)33(31,32)29-10-8-28(2)9-11-29)18-14-25-21(23)20(27-18)22(30)26-17-4-3-7-24-13-17;/h3-7,12-14H,8-11H2,1-2H3,(H2,23,25)(H,26,30);1H.

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

3-amino-6-[3-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride has a molecular weight of 504.02 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[3-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 10207407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).