3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C23H23NO5S — CID 22587155

IUPAC3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1ccccc1-c1csc2c1NC(=O)CC2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H23NO5S/c1-26-17-8-6-5-7-14(17)16-12-30-23-15(11-20(25)24-21(16)23)13-9-18(27-2)22(29-4)19(10-13)28-3/h5-10,12,15H,11H2,1-4H3,(H,24,25)
InChIKeyCSEAYCNYROBBRR-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.92
Rot. Bonds6

About 3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 22587155) has the molecular formula C23H23NO5S and a molecular weight of 425.51 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID22587155
Molecular FormulaC23H23NO5S
Molecular Weight425.51 g/mol
Exact Mass425.13
IUPAC Name3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1ccccc1-c1csc2c1NC(=O)CC2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H23NO5S/c1-26-17-8-6-5-7-14(17)16-12-30-23-15(11-20(25)24-21(16)23)13-9-18(27-2)22(29-4)19(10-13)28-3/h5-10,12,15H,11H2,1-4H3,(H,24,25)
InChIKeyCSEAYCNYROBBRR-UHFFFAOYSA-N
XLogP4.92
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 22587155) is 3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1ccccc1-c1csc2c1NC(=O)CC2c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is CSEAYCNYROBBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5S/c1-26-17-8-6-5-7-14(17)16-12-30-23-15(11-20(25)24-21(16)23)13-9-18(27-2)22(29-4)19(10-13)28-3/h5-10,12,15H,11H2,1-4H3,(H,24,25).
What are the key properties of 3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 425.51 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 22587155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).