ethane;N-methyl-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;molecular hydrogen

C23H24F3N5O3S — CID 144630408

IUPACethane;N-methyl-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;molecular hydrogen
SMILESCC.CN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(S(N)(=O)=O)cc1.[H][H]
InChIInChI=1S/C21H16F3N5O3S.C2H6.H2/c1-28(15-6-8-16(9-7-15)33(25,31)32)20(30)17-12-29-18(10-27-19(29)11-26-17)13-2-4-14(5-3-13)21(22,23)24;1-2;/h2-12H,1H3,(H2,25,31,32);1-2H3;1H
InChIKeyIIWUJQRHZWXWPS-UHFFFAOYSA-N
MW507.54 g/mol
LogP4.61
Rot. Bonds4

About ethane;N-methyl-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;molecular hydrogen

ethane;N-methyl-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;molecular hydrogen (PubChem CID 144630408) has the molecular formula C23H24F3N5O3S and a molecular weight of 507.54 g/mol. Its IUPAC name is ethane;N-methyl-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-methyl-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;molecular hydrogen
PubChem CID144630408
Molecular FormulaC23H24F3N5O3S
Molecular Weight507.54 g/mol
Exact Mass507.16
IUPAC Nameethane;N-methyl-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;molecular hydrogen
SMILESCC.CN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(S(N)(=O)=O)cc1.[H][H]
InChIInChI=1S/C21H16F3N5O3S.C2H6.H2/c1-28(15-6-8-16(9-7-15)33(25,31)32)20(30)17-12-29-18(10-27-19(29)11-26-17)13-2-4-14(5-3-13)21(22,23)24;1-2;/h2-12H,1H3,(H2,25,31,32);1-2H3;1H
InChIKeyIIWUJQRHZWXWPS-UHFFFAOYSA-N
XLogP4.61
TPSA110.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;molecular hydrogen?
The IUPAC name of ethane;N-methyl-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;molecular hydrogen (CID 144630408) is ethane;N-methyl-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;molecular hydrogen.
What is the SMILES notation for ethane;N-methyl-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;molecular hydrogen?
The canonical SMILES for ethane;N-methyl-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;molecular hydrogen is CC.CN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(S(N)(=O)=O)cc1.[H][H].
What is the InChIKey of ethane;N-methyl-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;molecular hydrogen?
The InChIKey is IIWUJQRHZWXWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O3S.C2H6.H2/c1-28(15-6-8-16(9-7-15)33(25,31)32)20(30)17-12-29-18(10-27-19(29)11-26-17)13-2-4-14(5-3-13)21(22,23)24;1-2;/h2-12H,1H3,(H2,25,31,32);1-2H3;1H.
What are the key properties of ethane;N-methyl-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;molecular hydrogen?
ethane;N-methyl-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;molecular hydrogen has a molecular weight of 507.54 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;molecular hydrogen is sourced from PubChem (CID 144630408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).