2-(2,4-difluorophenoxy)-6-methyl-5-(2-methylsulfanyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-7-one

C20H15F2N3O2S — CID 175923270

IUPAC2-(2,4-difluorophenoxy)-6-methyl-5-(2-methylsulfanyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCSc1ncccc1-c1cc2cc(Oc3ccc(F)cc3F)[nH]c2c(=O)n1C
InChIInChI=1S/C20H15F2N3O2S/c1-25-15(13-4-3-7-23-19(13)28-2)8-11-9-17(24-18(11)20(25)26)27-16-6-5-12(21)10-14(16)22/h3-10,24H,1-2H3
InChIKeyNQHGTRCZNRXLDK-UHFFFAOYSA-N
MW399.42 g/mol
LogP4.72
Rot. Bonds4

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

2-(2,4-difluorophenoxy)-6-methyl-5-(2-methylsulfanyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 175923270) has the molecular formula C20H15F2N3O2S and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-6-methyl-5-(2-methylsulfanyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-6-methyl-5-(2-methylsulfanyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID175923270
Molecular FormulaC20H15F2N3O2S
Molecular Weight399.42 g/mol
Exact Mass399.09
IUPAC Name2-(2,4-difluorophenoxy)-6-methyl-5-(2-methylsulfanyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCSc1ncccc1-c1cc2cc(Oc3ccc(F)cc3F)[nH]c2c(=O)n1C
InChIInChI=1S/C20H15F2N3O2S/c1-25-15(13-4-3-7-23-19(13)28-2)8-11-9-17(24-18(11)20(25)26)27-16-6-5-12(21)10-14(16)22/h3-10,24H,1-2H3
InChIKeyNQHGTRCZNRXLDK-UHFFFAOYSA-N
XLogP4.72
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-6-methyl-5-(2-methylsulfanyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 2-(2,4-difluorophenoxy)-6-methyl-5-(2-methylsulfanyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-7-one (CID 175923270) is 2-(2,4-difluorophenoxy)-6-methyl-5-(2-methylsulfanyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-6-methyl-5-(2-methylsulfanyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 2-(2,4-difluorophenoxy)-6-methyl-5-(2-methylsulfanyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-7-one is CSc1ncccc1-c1cc2cc(Oc3ccc(F)cc3F)[nH]c2c(=O)n1C.
What is the InChIKey of 2-(2,4-difluorophenoxy)-6-methyl-5-(2-methylsulfanyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is NQHGTRCZNRXLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2S/c1-25-15(13-4-3-7-23-19(13)28-2)8-11-9-17(24-18(11)20(25)26)27-16-6-5-12(21)10-14(16)22/h3-10,24H,1-2H3.
What are the key properties of 2-(2,4-difluorophenoxy)-6-methyl-5-(2-methylsulfanyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
2-(2,4-difluorophenoxy)-6-methyl-5-(2-methylsulfanyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 399.42 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-6-methyl-5-(2-methylsulfanyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 175923270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).