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

C29H23N3O3S — CID 22477253

IUPAC2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridine
SMILESCOc1ccc2[nH]cc(-c3cc4cc(-c5ccccc5)cnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C29H23N3O3S/c1-19-8-11-24(12-9-19)36(33,34)32-28(26-18-30-27-13-10-23(35-2)16-25(26)27)15-21-14-22(17-31-29(21)32)20-6-4-3-5-7-20/h3-18,30H,1-2H3
InChIKeyHAVHMUAYDBZNOM-UHFFFAOYSA-N
MW493.59 g/mol
LogP6.41
Rot. Bonds5

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

2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridine (PubChem CID 22477253) has the molecular formula C29H23N3O3S and a molecular weight of 493.59 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridine
PubChem CID22477253
Molecular FormulaC29H23N3O3S
Molecular Weight493.59 g/mol
Exact Mass493.15
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridine
SMILESCOc1ccc2[nH]cc(-c3cc4cc(-c5ccccc5)cnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C29H23N3O3S/c1-19-8-11-24(12-9-19)36(33,34)32-28(26-18-30-27-13-10-23(35-2)16-25(26)27)15-21-14-22(17-31-29(21)32)20-6-4-3-5-7-20/h3-18,30H,1-2H3
InChIKeyHAVHMUAYDBZNOM-UHFFFAOYSA-N
XLogP6.41
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.59
LogP ≤ 56.41
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)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridine (CID 22477253) is 2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridine is COc1ccc2[nH]cc(-c3cc4cc(-c5ccccc5)cnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridine?
The InChIKey is HAVHMUAYDBZNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O3S/c1-19-8-11-24(12-9-19)36(33,34)32-28(26-18-30-27-13-10-23(35-2)16-25(26)27)15-21-14-22(17-31-29(21)32)20-6-4-3-5-7-20/h3-18,30H,1-2H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridine?
2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridine has a molecular weight of 493.59 g/mol, XLogP of 6.41, 5 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)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 22477253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).