2-(5-methoxy-1H-indol-3-yl)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

C24H21N3O3S — CID 22477249

IUPAC2-(5-methoxy-1H-indol-3-yl)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCOc1ccc2[nH]cc(-c3c(C)c4cccnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C24H21N3O3S/c1-15-6-9-18(10-7-15)31(28,29)27-23(16(2)19-5-4-12-25-24(19)27)21-14-26-22-11-8-17(30-3)13-20(21)22/h4-14,26H,1-3H3
InChIKeyMLKNJZRTQBQQHR-UHFFFAOYSA-N
MW431.52 g/mol
LogP5.05
Rot. Bonds4

About 2-(5-methoxy-1H-indol-3-yl)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

2-(5-methoxy-1H-indol-3-yl)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 22477249) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID22477249
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCOc1ccc2[nH]cc(-c3c(C)c4cccnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C24H21N3O3S/c1-15-6-9-18(10-7-15)31(28,29)27-23(16(2)19-5-4-12-25-24(19)27)21-14-26-22-11-8-17(30-3)13-20(21)22/h4-14,26H,1-3H3
InChIKeyMLKNJZRTQBQQHR-UHFFFAOYSA-N
XLogP5.05
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.52
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 22477249) is 2-(5-methoxy-1H-indol-3-yl)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is COc1ccc2[nH]cc(-c3c(C)c4cccnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is MLKNJZRTQBQQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-15-6-9-18(10-7-15)31(28,29)27-23(16(2)19-5-4-12-25-24(19)27)21-14-26-22-11-8-17(30-3)13-20(21)22/h4-14,26H,1-3H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
2-(5-methoxy-1H-indol-3-yl)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 431.52 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 22477249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).