6-(4-methoxyphenyl)-1-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine

C22H20N2O3S — CID 169287971

IUPAC6-(4-methoxyphenyl)-1-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine
SMILESCOc1ccc(-c2cnc3cc(-c4ccc(S(C)(=O)=O)cc4)n(C)c3c2)cc1
InChIInChI=1S/C22H20N2O3S/c1-24-21(16-6-10-19(11-7-16)28(3,25)26)13-20-22(24)12-17(14-23-20)15-4-8-18(27-2)9-5-15/h4-14H,1-3H3
InChIKeyVIEPTUGLCRXILR-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.32
Rot. Bonds4

About 6-(4-methoxyphenyl)-1-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine

6-(4-methoxyphenyl)-1-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine (PubChem CID 169287971) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine
PubChem CID169287971
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name6-(4-methoxyphenyl)-1-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine
SMILESCOc1ccc(-c2cnc3cc(-c4ccc(S(C)(=O)=O)cc4)n(C)c3c2)cc1
InChIInChI=1S/C22H20N2O3S/c1-24-21(16-6-10-19(11-7-16)28(3,25)26)13-20-22(24)12-17(14-23-20)15-4-8-18(27-2)9-5-15/h4-14H,1-3H3
InChIKeyVIEPTUGLCRXILR-UHFFFAOYSA-N
XLogP4.32
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-6-[4-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine
CID 162736533
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazole
CID 22661044
3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one
CID 139782244
1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 10523251
3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311217
1-methoxy-4-[5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]benzene
CID 23370545
3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 155561849
N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide
CID 4789393
1-(2,5-dimethoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrole
CID 5210323
3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine
CID 91872028
5-(4-methoxyphenyl)-3-methylsulfanyl-6-(4-methylsulfonylphenyl)-1,2,4-triazine
CID 73334567

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-(4-methoxyphenyl)-1-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine (CID 169287971) is 6-(4-methoxyphenyl)-1-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-(4-methoxyphenyl)-1-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-(4-methoxyphenyl)-1-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine is COc1ccc(-c2cnc3cc(-c4ccc(S(C)(=O)=O)cc4)n(C)c3c2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine?
The InChIKey is VIEPTUGLCRXILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-24-21(16-6-10-19(11-7-16)28(3,25)26)13-20-22(24)12-17(14-23-20)15-4-8-18(27-2)9-5-15/h4-14H,1-3H3.
What are the key properties of 6-(4-methoxyphenyl)-1-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine?
6-(4-methoxyphenyl)-1-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine has a molecular weight of 392.48 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 169287971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).