4-cyclopropyl-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-3-carbaldehyde

C19H18N2O4S — CID 174175576

IUPAC4-cyclopropyl-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-3-carbaldehyde
SMILESCOc1ncc(C2CC2)c2c(C=O)cn(S(=O)(=O)c3ccc(C)cc3)c12
InChIInChI=1S/C19H18N2O4S/c1-12-3-7-15(8-4-12)26(23,24)21-10-14(11-22)17-16(13-5-6-13)9-20-19(25-2)18(17)21/h3-4,7-11,13H,5-6H2,1-2H3
InChIKeyJYRHROMQVYPNDW-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.28
Rot. Bonds5

About 4-cyclopropyl-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-3-carbaldehyde

4-cyclopropyl-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-3-carbaldehyde (PubChem CID 174175576) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-cyclopropyl-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-3-carbaldehyde
PubChem CID174175576
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name4-cyclopropyl-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-3-carbaldehyde
SMILESCOc1ncc(C2CC2)c2c(C=O)cn(S(=O)(=O)c3ccc(C)cc3)c12
InChIInChI=1S/C19H18N2O4S/c1-12-3-7-15(8-4-12)26(23,24)21-10-14(11-22)17-16(13-5-6-13)9-20-19(25-2)18(17)21/h3-4,7-11,13H,5-6H2,1-2H3
InChIKeyJYRHROMQVYPNDW-UHFFFAOYSA-N
XLogP3.28
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-cyclopropyl-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-3-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

5-methoxy-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
CID 14403889
3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde
CID 125483195
2-[(E)-2-(2,4-dimethoxypyrimidin-5-yl)ethenyl]-3-(4-methylphenyl)sulfonyl-2H-1,3-benzothiazole
CID 11113220
6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine
CID 170426402
4-(3-aminophenyl)-1-(4-methylphenyl)sulfonyl-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 142693986
tert-butyl (2R)-2-[[5-chloro-3-formyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-methylamino]-3-methylbutanoate
CID 87315396
4-methyl-1-(4-methylphenyl)sulfonylpyrrole-3-carbaldehyde
CID 102335687
2-[4,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine
CID 11595914
methyl 1-[5-cyclopropyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperazine-2-carboxylate
CID 175580443
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
CID 11467213
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-methylphenyl)sulfonyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine
CID 164881268
methyl 2-[1-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-benzo[cd]indol-5-yl]acetate
CID 15338578

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-3-carbaldehyde?
The IUPAC name of 4-cyclopropyl-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-3-carbaldehyde (CID 174175576) is 4-cyclopropyl-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-3-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-3-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-3-carbaldehyde is COc1ncc(C2CC2)c2c(C=O)cn(S(=O)(=O)c3ccc(C)cc3)c12.
What is the InChIKey of 4-cyclopropyl-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-3-carbaldehyde?
The InChIKey is JYRHROMQVYPNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-12-3-7-15(8-4-12)26(23,24)21-10-14(11-22)17-16(13-5-6-13)9-20-19(25-2)18(17)21/h3-4,7-11,13H,5-6H2,1-2H3.
What are the key properties of 4-cyclopropyl-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-3-carbaldehyde?
4-cyclopropyl-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-3-carbaldehyde has a molecular weight of 370.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 174175576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).