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

C24H21N3O4S — CID 22477458

IUPAC4-methoxy-2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCOc1ccc2[nH]cc(-c3cc4c(OC)ccnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C24H21N3O4S/c1-15-4-7-17(8-5-15)32(28,29)27-22(13-19-23(31-3)10-11-25-24(19)27)20-14-26-21-9-6-16(30-2)12-18(20)21/h4-14,26H,1-3H3
InChIKeyMWOCLUCRSVBPPP-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.75
Rot. Bonds5

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

4-methoxy-2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 22477458) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is 4-methoxy-2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-methoxy-2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID22477458
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Name4-methoxy-2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCOc1ccc2[nH]cc(-c3cc4c(OC)ccnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C24H21N3O4S/c1-15-4-7-17(8-5-15)32(28,29)27-22(13-19-23(31-3)10-11-25-24(19)27)20-14-26-21-9-6-16(30-2)12-18(20)21/h4-14,26H,1-3H3
InChIKeyMWOCLUCRSVBPPP-UHFFFAOYSA-N
XLogP4.75
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 4-methoxy-2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 22477458) is 4-methoxy-2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-methoxy-2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-methoxy-2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is COc1ccc2[nH]cc(-c3cc4c(OC)ccnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1.
What is the InChIKey of 4-methoxy-2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is MWOCLUCRSVBPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-15-4-7-17(8-5-15)32(28,29)27-22(13-19-23(31-3)10-11-25-24(19)27)20-14-26-21-9-6-16(30-2)12-18(20)21/h4-14,26H,1-3H3.
What are the key properties of 4-methoxy-2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
4-methoxy-2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 447.52 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 22477458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).