7-(2,2-difluoroethylamino)-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one

C17H16F2N2O2S — CID 175780524

IUPAC7-(2,2-difluoroethylamino)-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one
SMILESCOc1ccc(Cn2c(=O)cc(NCC(F)F)c3sccc32)cc1
InChIInChI=1S/C17H16F2N2O2S/c1-23-12-4-2-11(3-5-12)10-21-14-6-7-24-17(14)13(8-16(21)22)20-9-15(18)19/h2-8,15,20H,9-10H2,1H3
InChIKeyUHZUKZISEGZTRY-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.80
Rot. Bonds6

About 7-(2,2-difluoroethylamino)-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one

7-(2,2-difluoroethylamino)-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one (PubChem CID 175780524) has the molecular formula C17H16F2N2O2S and a molecular weight of 350.39 g/mol. Its IUPAC name is 7-(2,2-difluoroethylamino)-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2,2-difluoroethylamino)-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one
PubChem CID175780524
Molecular FormulaC17H16F2N2O2S
Molecular Weight350.39 g/mol
Exact Mass350.09
IUPAC Name7-(2,2-difluoroethylamino)-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one
SMILESCOc1ccc(Cn2c(=O)cc(NCC(F)F)c3sccc32)cc1
InChIInChI=1S/C17H16F2N2O2S/c1-23-12-4-2-11(3-5-12)10-21-14-6-7-24-17(14)13(8-16(21)22)20-9-15(18)19/h2-8,15,20H,9-10H2,1H3
InChIKeyUHZUKZISEGZTRY-UHFFFAOYSA-N
XLogP3.80
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethylamino)-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-(2,2-difluoroethylamino)-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one (CID 175780524) is 7-(2,2-difluoroethylamino)-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-(2,2-difluoroethylamino)-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-(2,2-difluoroethylamino)-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one is COc1ccc(Cn2c(=O)cc(NCC(F)F)c3sccc32)cc1.
What is the InChIKey of 7-(2,2-difluoroethylamino)-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one?
The InChIKey is UHZUKZISEGZTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2S/c1-23-12-4-2-11(3-5-12)10-21-14-6-7-24-17(14)13(8-16(21)22)20-9-15(18)19/h2-8,15,20H,9-10H2,1H3.
What are the key properties of 7-(2,2-difluoroethylamino)-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one?
7-(2,2-difluoroethylamino)-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one has a molecular weight of 350.39 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethylamino)-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 175780524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).