1-(2,2-difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one

C17H15F5N2O2S — CID 167673984

IUPAC1-(2,2-difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one
SMILESCN1Cc2cc(C(=O)Cc3cc(F)c(=O)n(CC(F)F)c3)sc2C(F)(F)C1
InChIInChI=1S/C17H15F5N2O2S/c1-23-6-10-4-13(27-15(10)17(21,22)8-23)12(25)3-9-2-11(18)16(26)24(5-9)7-14(19)20/h2,4-5,14H,3,6-8H2,1H3
InChIKeyUNXGIZHITWPVQL-UHFFFAOYSA-N
MW406.38 g/mol
LogP3.28
Rot. Bonds5

About 1-(2,2-difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one

1-(2,2-difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one (PubChem CID 167673984) has the molecular formula C17H15F5N2O2S and a molecular weight of 406.38 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one
PubChem CID167673984
Molecular FormulaC17H15F5N2O2S
Molecular Weight406.38 g/mol
Exact Mass406.08
IUPAC Name1-(2,2-difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one
SMILESCN1Cc2cc(C(=O)Cc3cc(F)c(=O)n(CC(F)F)c3)sc2C(F)(F)C1
InChIInChI=1S/C17H15F5N2O2S/c1-23-6-10-4-13(27-15(10)17(21,22)8-23)12(25)3-9-2-11(18)16(26)24(5-9)7-14(19)20/h2,4-5,14H,3,6-8H2,1H3
InChIKeyUNXGIZHITWPVQL-UHFFFAOYSA-N
XLogP3.28
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one (CID 167673984) is 1-(2,2-difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one is CN1Cc2cc(C(=O)Cc3cc(F)c(=O)n(CC(F)F)c3)sc2C(F)(F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one?
The InChIKey is UNXGIZHITWPVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N2O2S/c1-23-6-10-4-13(27-15(10)17(21,22)8-23)12(25)3-9-2-11(18)16(26)24(5-9)7-14(19)20/h2,4-5,14H,3,6-8H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one?
1-(2,2-difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one has a molecular weight of 406.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one is sourced from PubChem (CID 167673984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).