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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Related Compounds

N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]cyclopropanamine
CID 67147532
4-chloro-2-(1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 141080529
3-methyl-10-(4-methylphenyl)sulfonyl-11-(1-propan-2-ylindol-3-yl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 67361822
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]-4-piperidin-1-ylaniline
CID 67147698
2-[6-[2-(2-chloroethoxy)ethoxy]-5-methoxy-1-methylindol-3-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 67147647
2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole
CID 102128726
2-(5-methoxy-6-phenylmethoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 22477397
4-chloro-2-(5-fluoro-1H-pyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 164572996
1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine
CID 91482964
2-[5-methoxy-1-(2-methoxy-2-oxoethyl)-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indol-6-yl]oxybutanedioic acid
CID 67147664
methyl 3-[1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indol-5-yl]propanoate
CID 150348349
2-[4-[3-[5,6-dimethoxy-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indol-1-yl]propyl]piperazin-1-yl]ethanol;2,2,2-trifluoroacetic acid
CID 67147737

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).