methyl 3-amino-4-cyano-1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate

C18H16N6O5S — CID 168545837

IUPACmethyl 3-amino-4-cyano-1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1c(N)c(C#N)cn1-c1ccc(S(=O)(=O)Nc2nccnc2OC)cc1
InChIInChI=1S/C18H16N6O5S/c1-28-17-16(21-7-8-22-17)23-30(26,27)13-5-3-12(4-6-13)24-10-11(9-19)14(20)15(24)18(25)29-2/h3-8,10H,20H2,1-2H3,(H,21,23)
InChIKeyZRZWKRWFNPKMRS-UHFFFAOYSA-N
MW428.43 g/mol
LogP1.32
Rot. Bonds6

About methyl 3-amino-4-cyano-1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate

methyl 3-amino-4-cyano-1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate (PubChem CID 168545837) has the molecular formula C18H16N6O5S and a molecular weight of 428.43 g/mol. Its IUPAC name is methyl 3-amino-4-cyano-1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-cyano-1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate
PubChem CID168545837
Molecular FormulaC18H16N6O5S
Molecular Weight428.43 g/mol
Exact Mass428.09
IUPAC Namemethyl 3-amino-4-cyano-1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1c(N)c(C#N)cn1-c1ccc(S(=O)(=O)Nc2nccnc2OC)cc1
InChIInChI=1S/C18H16N6O5S/c1-28-17-16(21-7-8-22-17)23-30(26,27)13-5-3-12(4-6-13)24-10-11(9-19)14(20)15(24)18(25)29-2/h3-8,10H,20H2,1-2H3,(H,21,23)
InChIKeyZRZWKRWFNPKMRS-UHFFFAOYSA-N
XLogP1.32
TPSA162.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methyl 3-amino-4-cyano-1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate with MolForge

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Related Compounds

methyl 3-amino-4-cyano-1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate
CID 168548714
methyl 3-amino-4-cyano-1-[4-(prop-2-enylsulfamoyl)phenyl]pyrrole-2-carboxylate
CID 168546667
methyl 3-amino-4-cyano-1-(4-pyrimidin-2-ylphenyl)pyrrole-2-carboxylate
CID 168546420
methyl 3-amino-4-cyano-1-[4-[[1-(oxan-4-yl)pyrazol-4-yl]sulfamoyl]phenyl]pyrrole-2-carboxylate
CID 168547737
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CID 170923254
methyl 3-amino-4-cyano-1-(3-methoxy-5-methylsulfonylphenyl)pyrrole-2-carboxylate
CID 168546386
methyl 3-amino-4-cyano-1-(4-cyclopentyloxycarbonylphenyl)pyrrole-2-carboxylate
CID 168546626
methyl 3-amino-1-[4-[(carbamoylamino)methyl]phenyl]-4-cyanopyrrole-2-carboxylate
CID 168549359
methyl 3-amino-4-cyano-1-[4-(cyclopentylcarbamoyl)phenyl]pyrrole-2-carboxylate
CID 168548649
methyl 3-amino-4-cyano-1-[4-(4-methylphenoxy)phenyl]pyrrole-2-carboxylate
CID 168545889
methyl 3-amino-4-cyano-1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrole-2-carboxylate
CID 168546191
2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 168520143

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-cyano-1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 3-amino-4-cyano-1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate (CID 168545837) is methyl 3-amino-4-cyano-1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-cyano-1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-cyano-1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate is COC(=O)c1c(N)c(C#N)cn1-c1ccc(S(=O)(=O)Nc2nccnc2OC)cc1.
What is the InChIKey of methyl 3-amino-4-cyano-1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate?
The InChIKey is ZRZWKRWFNPKMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O5S/c1-28-17-16(21-7-8-22-17)23-30(26,27)13-5-3-12(4-6-13)24-10-11(9-19)14(20)15(24)18(25)29-2/h3-8,10H,20H2,1-2H3,(H,21,23).
What are the key properties of methyl 3-amino-4-cyano-1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate?
methyl 3-amino-4-cyano-1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate has a molecular weight of 428.43 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-cyano-1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]pyrrole-2-carboxylate is sourced from PubChem (CID 168545837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).