3-(2-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridine

C24H19N3O3S2 — CID 90226372

IUPAC3-(2-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridine
SMILESCOc1ncccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2nccc(-c3ccsc3)c12
InChIInChI=1S/C24H19N3O3S2/c1-16-5-7-18(8-6-16)32(28,29)27-14-21(20-4-3-11-26-24(20)30-2)22-19(9-12-25-23(22)27)17-10-13-31-15-17/h3-15H,1-2H3
InChIKeyOJJSFBPQFPXLSB-UHFFFAOYSA-N
MW461.57 g/mol
LogP5.38
Rot. Bonds5

About 3-(2-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridine

3-(2-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridine (PubChem CID 90226372) has the molecular formula C24H19N3O3S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 3-(2-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridine
PubChem CID90226372
Molecular FormulaC24H19N3O3S2
Molecular Weight461.57 g/mol
Exact Mass461.09
IUPAC Name3-(2-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridine
SMILESCOc1ncccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2nccc(-c3ccsc3)c12
InChIInChI=1S/C24H19N3O3S2/c1-16-5-7-18(8-6-16)32(28,29)27-14-21(20-4-3-11-26-24(20)30-2)22-19(9-12-25-23(22)27)17-10-13-31-15-17/h3-15H,1-2H3
InChIKeyOJJSFBPQFPXLSB-UHFFFAOYSA-N
XLogP5.38
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridine (CID 90226372) is 3-(2-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridine is COc1ncccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2nccc(-c3ccsc3)c12.
What is the InChIKey of 3-(2-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridine?
The InChIKey is OJJSFBPQFPXLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S2/c1-16-5-7-18(8-6-16)32(28,29)27-14-21(20-4-3-11-26-24(20)30-2)22-19(9-12-25-23(22)27)17-10-13-31-15-17/h3-15H,1-2H3.
What are the key properties of 3-(2-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridine?
3-(2-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridine has a molecular weight of 461.57 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonyl-4-thiophen-3-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90226372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).