3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxylic acid

C16H19N5O4S — CID 68532511

IUPAC3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxylic acid
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)O)n3)cc2)CC1
InChIInChI=1S/C16H19N5O4S/c1-20-6-8-21(9-7-20)26(24,25)12-4-2-11(3-5-12)13-10-18-15(17)14(19-13)16(22)23/h2-5,10H,6-9H2,1H3,(H2,17,18)(H,22,23)
InChIKeyYUOWIYNMBTXYIO-UHFFFAOYSA-N
MW377.43 g/mol
LogP0.36
Rot. Bonds4

About 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxylic acid

3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxylic acid (PubChem CID 68532511) has the molecular formula C16H19N5O4S and a molecular weight of 377.43 g/mol. Its IUPAC name is 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxylic acid
PubChem CID68532511
Molecular FormulaC16H19N5O4S
Molecular Weight377.43 g/mol
Exact Mass377.12
IUPAC Name3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxylic acid
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)O)n3)cc2)CC1
InChIInChI=1S/C16H19N5O4S/c1-20-6-8-21(9-7-20)26(24,25)12-4-2-11(3-5-12)13-10-18-15(17)14(19-13)16(22)23/h2-5,10H,6-9H2,1H3,(H2,17,18)(H,22,23)
InChIKeyYUOWIYNMBTXYIO-UHFFFAOYSA-N
XLogP0.36
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxylic acid (CID 68532511) is 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxylic acid is CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)O)n3)cc2)CC1.
What is the InChIKey of 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxylic acid?
The InChIKey is YUOWIYNMBTXYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4S/c1-20-6-8-21(9-7-20)26(24,25)12-4-2-11(3-5-12)13-10-18-15(17)14(19-13)16(22)23/h2-5,10H,6-9H2,1H3,(H2,17,18)(H,22,23).
What are the key properties of 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxylic acid?
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxylic acid has a molecular weight of 377.43 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 68532511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).