5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

C20H16BrN3O3S — CID 177130215

IUPAC5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCOc1cncc(-c2cc3cc(Br)cnc3n2S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C20H16BrN3O3S/c1-13-3-5-18(6-4-13)28(25,26)24-19(15-8-17(27-2)12-22-10-15)9-14-7-16(21)11-23-20(14)24/h3-12H,1-2H3
InChIKeyGICVTRVNMCKZCQ-UHFFFAOYSA-N
MW458.34 g/mol
LogP4.41
Rot. Bonds4

About 5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 177130215) has the molecular formula C20H16BrN3O3S and a molecular weight of 458.34 g/mol. Its IUPAC name is 5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID177130215
Molecular FormulaC20H16BrN3O3S
Molecular Weight458.34 g/mol
Exact Mass457.01
IUPAC Name5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCOc1cncc(-c2cc3cc(Br)cnc3n2S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C20H16BrN3O3S/c1-13-3-5-18(6-4-13)28(25,26)24-19(15-8-17(27-2)12-22-10-15)9-14-7-16(21)11-23-20(14)24/h3-12H,1-2H3
InChIKeyGICVTRVNMCKZCQ-UHFFFAOYSA-N
XLogP4.41
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.34
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-1-(4-methylphenyl)sulfonyl-2-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridine
CID 177130136
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 175864006
1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole
CID 56931842
2-bromo-6-methyl-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
CID 58557085
5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridine
CID 177130203
2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole
CID 102128726
[4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenyl] 4-methylbenzenesulfonate
CID 59699753
5-bromo-3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane
CID 144646803
5-bromo-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
CID 141325151
4-bromo-5-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 137347373
6-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydrochloride
CID 175965023
5-bromo-3-(3-fluoro-2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane
CID 144646789

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 177130215) is 5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is COc1cncc(-c2cc3cc(Br)cnc3n2S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is GICVTRVNMCKZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O3S/c1-13-3-5-18(6-4-13)28(25,26)24-19(15-8-17(27-2)12-22-10-15)9-14-7-16(21)11-23-20(14)24/h3-12H,1-2H3.
What are the key properties of 5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 458.34 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 177130215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).