3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride

C23H24ClN7O3S — CID 10052171

IUPAC3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccc(C#N)c4)n3)cc2)CC1.Cl
InChIInChI=1S/C23H23N7O3S.ClH/c1-29-9-11-30(12-10-29)34(32,33)19-7-5-17(6-8-19)20-15-26-22(25)21(28-20)23(31)27-18-4-2-3-16(13-18)14-24;/h2-8,13,15H,9-12H2,1H3,(H2,25,26)(H,27,31);1H
InChIKeyMUAOGOHSVLYUKF-UHFFFAOYSA-N
MW514.01 g/mol
LogP2.21
Rot. Bonds5

About 3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride

3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride (PubChem CID 10052171) has the molecular formula C23H24ClN7O3S and a molecular weight of 514.01 g/mol. Its IUPAC name is 3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride
PubChem CID10052171
Molecular FormulaC23H24ClN7O3S
Molecular Weight514.01 g/mol
Exact Mass513.13
IUPAC Name3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccc(C#N)c4)n3)cc2)CC1.Cl
InChIInChI=1S/C23H23N7O3S.ClH/c1-29-9-11-30(12-10-29)34(32,33)19-7-5-17(6-8-19)20-15-26-22(25)21(28-20)23(31)27-18-4-2-3-16(13-18)14-24;/h2-8,13,15H,9-12H2,1H3,(H2,25,26)(H,27,31);1H
InChIKeyMUAOGOHSVLYUKF-UHFFFAOYSA-N
XLogP2.21
TPSA145.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.01
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-N-(cyanomethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;dihydrochloride
CID 87503599
3-amino-N-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride
CID 10367480
3-amino-N-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
CID 10367481
3-amino-6-[3-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
CID 10207407
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 10346194
3-amino-6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
CID 10164393
3-amino-6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10297008
3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 157255124
3-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10345359
N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2710397
3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471661
3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide;hydrochloride
CID 10280106

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride (CID 10052171) is 3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride is CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccc(C#N)c4)n3)cc2)CC1.Cl.
What is the InChIKey of 3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride?
The InChIKey is MUAOGOHSVLYUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3S.ClH/c1-29-9-11-30(12-10-29)34(32,33)19-7-5-17(6-8-19)20-15-26-22(25)21(28-20)23(31)27-18-4-2-3-16(13-18)14-24;/h2-8,13,15H,9-12H2,1H3,(H2,25,26)(H,27,31);1H.
What are the key properties of 3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride?
3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride has a molecular weight of 514.01 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 10052171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).