ethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate

C19H20N2O6S — CID 164851424

IUPACethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(CO)cn(C)c(=O)c2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20N2O6S/c1-4-27-19(24)16-9-15-13(11-22)10-20(3)18(23)17(15)21(16)28(25,26)14-7-5-12(2)6-8-14/h5-10,22H,4,11H2,1-3H3
InChIKeyLQGHZDIIQGLKIJ-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.55
Rot. Bonds5

About ethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate

ethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate (PubChem CID 164851424) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is ethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate
PubChem CID164851424
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Nameethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(CO)cn(C)c(=O)c2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20N2O6S/c1-4-27-19(24)16-9-15-13(11-22)10-20(3)18(23)17(15)21(16)28(25,26)14-7-5-12(2)6-8-14/h5-10,22H,4,11H2,1-3H3
InChIKeyLQGHZDIIQGLKIJ-UHFFFAOYSA-N
XLogP1.55
TPSA107.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate with MolForge

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Related Compounds

propyl 4-bromo-1-(4-methylphenyl)sulfonyl-7-oxo-6H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 163387167
ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate
CID 10851265
ethyl 4-(2-ethylphenyl)-1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate
CID 121444678
4-bromo-6-methyl-1-(4-methylphenyl)sulfonyl-2-pyrimidin-2-ylpyrrolo[2,3-c]pyridin-7-one
CID 171108050
ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate
CID 132598521
[4-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanol
CID 23082148
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
CID 506886
4-bromo-1-methoxy-7H-cyclopenta[c]pyridine;4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;ethyl 4-bromo-7-methoxy-1-(4-methylphenyl)sulfonyl-3a,6,7,7a-tetrahydropyrrolo[2,3-c]pyridine-2-carboxylate;ethyl 4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylate;ethyl 4-bromo-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate
CID 165096579
ethyl 1-(4-methylphenyl)sulfonyl-5-(2-methylpropyl)-5,6-dihydroindole-2-carboxylate
CID 90391857
ethyl 5-(4-methylphenyl)sulfonyl-7,8-dihydro-6H-cyclohepta[b]indole-9-carboxylate
CID 102106611
ethyl 4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 97306609
ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate
CID 4083925

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate (CID 164851424) is ethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1cc2c(CO)cn(C)c(=O)c2n1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is LQGHZDIIQGLKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-4-27-19(24)16-9-15-13(11-22)10-20(3)18(23)17(15)21(16)28(25,26)14-7-5-12(2)6-8-14/h5-10,22H,4,11H2,1-3H3.
What are the key properties of ethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate?
ethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 404.44 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 164851424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).