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

C24H21N3O4S — CID 90868510

IUPAC4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCOc1ccnc2c1cc(-c1cn(OC)c3ccccc13)n2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H21N3O4S/c1-16-8-10-17(11-9-16)32(28,29)27-22(14-19-23(30-2)12-13-25-24(19)27)20-15-26(31-3)21-7-5-4-6-18(20)21/h4-15H,1-3H3
InChIKeyRCVPOMNHFBMGCI-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.27
Rot. Bonds5

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

4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 90868510) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is 4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID90868510
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Name4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCOc1ccnc2c1cc(-c1cn(OC)c3ccccc13)n2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H21N3O4S/c1-16-8-10-17(11-9-16)32(28,29)27-22(14-19-23(30-2)12-13-25-24(19)27)20-15-26(31-3)21-7-5-4-6-18(20)21/h4-15H,1-3H3
InChIKeyRCVPOMNHFBMGCI-UHFFFAOYSA-N
XLogP4.27
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 90868510) is 4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is COc1ccnc2c1cc(-c1cn(OC)c3ccccc13)n2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is RCVPOMNHFBMGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-16-8-10-17(11-9-16)32(28,29)27-22(14-19-23(30-2)12-13-25-24(19)27)20-15-26(31-3)21-7-5-4-6-18(20)21/h4-15H,1-3H3.
What are the key properties of 4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 447.52 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90868510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).