N-[4-[2-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide

C25H28N6O4S — CID 157370081

IUPACN-[4-[2-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(N4CCN(C)CC4)cc3)cnc2N)cc1
InChIInChI=1S/C25H28N6O4S/c1-17(32)29-36(34,35)21-9-3-18(4-10-21)15-23(33)24-25(26)27-16-22(28-24)19-5-7-20(8-6-19)31-13-11-30(2)12-14-31/h3-10,16H,11-15H2,1-2H3,(H2,26,27)(H,29,32)
InChIKeyMOPMVOGFUJQTPX-UHFFFAOYSA-N
MW508.60 g/mol
LogP1.73
Rot. Bonds7

About N-[4-[2-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide

N-[4-[2-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (PubChem CID 157370081) has the molecular formula C25H28N6O4S and a molecular weight of 508.60 g/mol. Its IUPAC name is N-[4-[2-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[2-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
PubChem CID157370081
Molecular FormulaC25H28N6O4S
Molecular Weight508.60 g/mol
Exact Mass508.19
IUPAC NameN-[4-[2-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(N4CCN(C)CC4)cc3)cnc2N)cc1
InChIInChI=1S/C25H28N6O4S/c1-17(32)29-36(34,35)21-9-3-18(4-10-21)15-23(33)24-25(26)27-16-22(28-24)19-5-7-20(8-6-19)31-13-11-30(2)12-14-31/h3-10,16H,11-15H2,1-2H3,(H2,26,27)(H,29,32)
InChIKeyMOPMVOGFUJQTPX-UHFFFAOYSA-N
XLogP1.73
TPSA138.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[2-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide with MolForge

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Related Compounds

Azd2858
CID 10138980
VE-821
CID 51000408
3-amino-6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10297008
3-Amino-N-(3-Methoxypropyl)-6-{4-[(4-Methylpiperazin-1-Yl)sulfonyl]phenyl}pyrazine-2-Carboxamide
CID 10254786
3-amino-N-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
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3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 56603751
3-Amino-6-(4-{[2-(Dimethylamino)ethyl]sulfamoyl}phenyl)-N-Pyridin-3-Ylpyrazine-2-Carboxamide
CID 56962315
3-amino-6-[2-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118014
3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10138033
3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10142642
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-[4-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 10231705
3-Amino-N-pyridin-3-yl-6-[4-(pyrrolidin-1-ylsulfonyl)phenyl]pyrazine-2-carboxamide
CID 10113102

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[2-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (CID 157370081) is N-[4-[2-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[2-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[2-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(N4CCN(C)CC4)cc3)cnc2N)cc1.
What is the InChIKey of N-[4-[2-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The InChIKey is MOPMVOGFUJQTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4S/c1-17(32)29-36(34,35)21-9-3-18(4-10-21)15-23(33)24-25(26)27-16-22(28-24)19-5-7-20(8-6-19)31-13-11-30(2)12-14-31/h3-10,16H,11-15H2,1-2H3,(H2,26,27)(H,29,32).
What are the key properties of N-[4-[2-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
N-[4-[2-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide has a molecular weight of 508.60 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 157370081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).