4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one

C15H14N2O3S — CID 99832866

IUPAC4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one
SMILESCOc1ccnc(Cn2ccc(=O)c3sccc32)c1OC
InChIInChI=1S/C15H14N2O3S/c1-19-13-3-6-16-10(14(13)20-2)9-17-7-4-12(18)15-11(17)5-8-21-15/h3-8H,9H2,1-2H3
InChIKeyHEXMUNJZXXGLIU-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.52
Rot. Bonds4

About 4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one

4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one (PubChem CID 99832866) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one
PubChem CID99832866
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one
SMILESCOc1ccnc(Cn2ccc(=O)c3sccc32)c1OC
InChIInChI=1S/C15H14N2O3S/c1-19-13-3-6-16-10(14(13)20-2)9-17-7-4-12(18)15-11(17)5-8-21-15/h3-8H,9H2,1-2H3
InChIKeyHEXMUNJZXXGLIU-UHFFFAOYSA-N
XLogP2.52
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 103173349
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole
CID 103174105
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one
CID 103174116
3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 103174083
3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
CID 119047122
3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
CID 103174085
5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 103172820
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
CID 72930183
4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-one
CID 99774556
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
CID 103174519
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 103173671
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 103174320

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one?
The IUPAC name of 4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one (CID 99832866) is 4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one?
The canonical SMILES for 4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one is COc1ccnc(Cn2ccc(=O)c3sccc32)c1OC.
What is the InChIKey of 4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one?
The InChIKey is HEXMUNJZXXGLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-19-13-3-6-16-10(14(13)20-2)9-17-7-4-12(18)15-11(17)5-8-21-15/h3-8H,9H2,1-2H3.
What are the key properties of 4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one?
4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one has a molecular weight of 302.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 99832866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).