3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

C22H22F3N7O4S — CID 10166912

IUPAC3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2OC(F)(F)F)CC1
InChIInChI=1S/C22H22F3N7O4S/c1-31-7-9-32(10-8-31)37(34,35)18-5-4-14(11-17(18)36-22(23,24)25)16-13-28-20(26)19(30-16)21(33)29-15-3-2-6-27-12-15/h2-6,11-13H,7-10H2,1H3,(H2,26,28)(H,29,33)
InChIKeyLTOTZKJOKALPBS-UHFFFAOYSA-N
MW537.52 g/mol
LogP2.21
Rot. Bonds6

About 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (PubChem CID 10166912) has the molecular formula C22H22F3N7O4S and a molecular weight of 537.52 g/mol. Its IUPAC name is 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
PubChem CID10166912
Molecular FormulaC22H22F3N7O4S
Molecular Weight537.52 g/mol
Exact Mass537.14
IUPAC Name3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2OC(F)(F)F)CC1
InChIInChI=1S/C22H22F3N7O4S/c1-31-7-9-32(10-8-31)37(34,35)18-5-4-14(11-17(18)36-22(23,24)25)16-13-28-20(26)19(30-16)21(33)29-15-3-2-6-27-12-15/h2-6,11-13H,7-10H2,1H3,(H2,26,28)(H,29,33)
InChIKeyLTOTZKJOKALPBS-UHFFFAOYSA-N
XLogP2.21
TPSA143.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.52
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (CID 10166912) is 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2OC(F)(F)F)CC1.
What is the InChIKey of 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The InChIKey is LTOTZKJOKALPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7O4S/c1-31-7-9-32(10-8-31)37(34,35)18-5-4-14(11-17(18)36-22(23,24)25)16-13-28-20(26)19(30-16)21(33)29-15-3-2-6-27-12-15/h2-6,11-13H,7-10H2,1H3,(H2,26,28)(H,29,33).
What are the key properties of 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide has a molecular weight of 537.52 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 10166912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).