6-methyl-4-(5-methylsulfonyl-2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one

C21H18N2O4S — CID 71617219

IUPAC6-methyl-4-(5-methylsulfonyl-2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C21H18N2O4S/c1-23-13-18(16-10-11-22-20(16)21(23)24)17-12-15(28(2,25)26)8-9-19(17)27-14-6-4-3-5-7-14/h3-13,22H,1-2H3
InChIKeyCGASLGCHTWREOZ-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.73
Rot. Bonds4

About 6-methyl-4-(5-methylsulfonyl-2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one

6-methyl-4-(5-methylsulfonyl-2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 71617219) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is 6-methyl-4-(5-methylsulfonyl-2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-methyl-4-(5-methylsulfonyl-2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID71617219
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC Name6-methyl-4-(5-methylsulfonyl-2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C21H18N2O4S/c1-23-13-18(16-10-11-22-20(16)21(23)24)17-12-15(28(2,25)26)8-9-19(17)27-14-6-4-3-5-7-14/h3-13,22H,1-2H3
InChIKeyCGASLGCHTWREOZ-UHFFFAOYSA-N
XLogP3.73
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Incb-057643
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6-Methyl-4-(2-Phenoxyphenyl)-1,6-Dihydro-7h-Pyrrolo[2,3-C]pyridin-7-One
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N-[3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)-4-Phenoxyphenyl]methanesulfonamide
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N-[4-(2,4-Difluorophenoxy)-3-(1-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-3-Yl)phenyl]ethanesulfonamide
CID 86287690
4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 89657560
6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
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N-[5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide
CID 71615944
N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]ethanesulfonamide
CID 71616053
4-[5-(dimethylsulfamoylamino)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine
CID 71616054
N-[4-(4,4-difluorocyclohexyl)oxy-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]methanesulfonamide
CID 71617461

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(5-methylsulfonyl-2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-methyl-4-(5-methylsulfonyl-2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one (CID 71617219) is 6-methyl-4-(5-methylsulfonyl-2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-methyl-4-(5-methylsulfonyl-2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-methyl-4-(5-methylsulfonyl-2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O.
What is the InChIKey of 6-methyl-4-(5-methylsulfonyl-2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is CGASLGCHTWREOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-23-13-18(16-10-11-22-20(16)21(23)24)17-12-15(28(2,25)26)8-9-19(17)27-14-6-4-3-5-7-14/h3-13,22H,1-2H3.
What are the key properties of 6-methyl-4-(5-methylsulfonyl-2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
6-methyl-4-(5-methylsulfonyl-2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 394.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(5-methylsulfonyl-2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 71617219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).