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

C23H26N6O4S — CID 10459291

IUPAC3-amino-N-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2nc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cnc2N)c1
InChIInChI=1S/C23H26N6O4S/c1-28-10-12-29(13-11-28)34(31,32)19-8-6-16(7-9-19)20-15-25-22(24)21(27-20)23(30)26-17-4-3-5-18(14-17)33-2/h3-9,14-15H,10-13H2,1-2H3,(H2,24,25)(H,26,30)
InChIKeyRPHDYDSFZKPPPT-UHFFFAOYSA-N
MW482.57 g/mol
LogP1.92
Rot. Bonds6

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

3-amino-N-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide (PubChem CID 10459291) has the molecular formula C23H26N6O4S and a molecular weight of 482.57 g/mol. Its IUPAC name is 3-amino-N-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
PubChem CID10459291
Molecular FormulaC23H26N6O4S
Molecular Weight482.57 g/mol
Exact Mass482.17
IUPAC Name3-amino-N-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2nc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cnc2N)c1
InChIInChI=1S/C23H26N6O4S/c1-28-10-12-29(13-11-28)34(31,32)19-8-6-16(7-9-19)20-15-25-22(24)21(27-20)23(30)26-17-4-3-5-18(14-17)33-2/h3-9,14-15H,10-13H2,1-2H3,(H2,24,25)(H,26,30)
InChIKeyRPHDYDSFZKPPPT-UHFFFAOYSA-N
XLogP1.92
TPSA130.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide (CID 10459291) is 3-amino-N-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide is COc1cccc(NC(=O)c2nc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cnc2N)c1.
What is the InChIKey of 3-amino-N-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide?
The InChIKey is RPHDYDSFZKPPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S/c1-28-10-12-29(13-11-28)34(31,32)19-8-6-16(7-9-19)20-15-25-22(24)21(27-20)23(30)26-17-4-3-5-18(14-17)33-2/h3-9,14-15H,10-13H2,1-2H3,(H2,24,25)(H,26,30).
What are the key properties of 3-amino-N-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide?
3-amino-N-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide has a molecular weight of 482.57 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 10459291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).