7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one

C19H16FN3O3S — CID 172557620

IUPAC7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one
SMILESCOCCOc1cc(F)ccc1-c1c(-c2cn[nH]c2)[nH]c(=O)c2ccsc12
InChIInChI=1S/C19H16FN3O3S/c1-25-5-6-26-15-8-12(20)2-3-13(15)16-17(11-9-21-22-10-11)23-19(24)14-4-7-27-18(14)16/h2-4,7-10H,5-6H2,1H3,(H,21,22)(H,23,24)
InChIKeySOWWYFTYTLLOPS-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.81
Rot. Bonds6

About 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one

7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 172557620) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one
PubChem CID172557620
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one
SMILESCOCCOc1cc(F)ccc1-c1c(-c2cn[nH]c2)[nH]c(=O)c2ccsc12
InChIInChI=1S/C19H16FN3O3S/c1-25-5-6-26-15-8-12(20)2-3-13(15)16-17(11-9-21-22-10-11)23-19(24)14-4-7-27-18(14)16/h2-4,7-10H,5-6H2,1H3,(H,21,22)(H,23,24)
InChIKeySOWWYFTYTLLOPS-UHFFFAOYSA-N
XLogP3.81
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one (CID 172557620) is 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one is COCCOc1cc(F)ccc1-c1c(-c2cn[nH]c2)[nH]c(=O)c2ccsc12.
What is the InChIKey of 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is SOWWYFTYTLLOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-25-5-6-26-15-8-12(20)2-3-13(15)16-17(11-9-21-22-10-11)23-19(24)14-4-7-27-18(14)16/h2-4,7-10H,5-6H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one?
7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 385.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 172557620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).