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

C23H19N3O3S — CID 21107310

IUPAC2-(5-methoxy-1H-indol-3-yl)-4-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc2[nH]cc(-c3cc4c(S(=O)(=O)c5ccc(C)cc5)ccnc4[nH]3)c2c1
InChIInChI=1S/C23H19N3O3S/c1-14-3-6-16(7-4-14)30(27,28)22-9-10-24-23-18(22)12-21(26-23)19-13-25-20-8-5-15(29-2)11-17(19)20/h3-13,25H,1-2H3,(H,24,26)
InChIKeyXVQAJJNFYZVOPM-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.86
Rot. Bonds4

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

2-(5-methoxy-1H-indol-3-yl)-4-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 21107310) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-4-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-4-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID21107310
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-4-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc2[nH]cc(-c3cc4c(S(=O)(=O)c5ccc(C)cc5)ccnc4[nH]3)c2c1
InChIInChI=1S/C23H19N3O3S/c1-14-3-6-16(7-4-14)30(27,28)22-9-10-24-23-18(22)12-21(26-23)19-13-25-20-8-5-15(29-2)11-17(19)20/h3-13,25H,1-2H3,(H,24,26)
InChIKeyXVQAJJNFYZVOPM-UHFFFAOYSA-N
XLogP4.86
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-4-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-4-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-b]pyridine (CID 21107310) is 2-(5-methoxy-1H-indol-3-yl)-4-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-4-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-4-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-b]pyridine is COc1ccc2[nH]cc(-c3cc4c(S(=O)(=O)c5ccc(C)cc5)ccnc4[nH]3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-4-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is XVQAJJNFYZVOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-14-3-6-16(7-4-14)30(27,28)22-9-10-24-23-18(22)12-21(26-23)19-13-25-20-8-5-15(29-2)11-17(19)20/h3-13,25H,1-2H3,(H,24,26).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-4-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-b]pyridine?
2-(5-methoxy-1H-indol-3-yl)-4-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 417.49 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-4-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 21107310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).