7-[[3-(difluoromethoxy)phenyl]methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one

C20H15F2N3O3S — CID 78427267

IUPAC7-[[3-(difluoromethoxy)phenyl]methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCn1nc(OCc2cccc(OC(F)F)c2)c2scc(-c3ccncc3)c2c1=O
InChIInChI=1S/C20H15F2N3O3S/c1-25-19(26)16-15(13-5-7-23-8-6-13)11-29-17(16)18(24-25)27-10-12-3-2-4-14(9-12)28-20(21)22/h2-9,11,20H,10H2,1H3
InChIKeyVSGZVKHXSROFDK-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.24
Rot. Bonds6

About 7-[[3-(difluoromethoxy)phenyl]methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one

7-[[3-(difluoromethoxy)phenyl]methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one (PubChem CID 78427267) has the molecular formula C20H15F2N3O3S and a molecular weight of 415.42 g/mol. Its IUPAC name is 7-[[3-(difluoromethoxy)phenyl]methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name7-[[3-(difluoromethoxy)phenyl]methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
PubChem CID78427267
Molecular FormulaC20H15F2N3O3S
Molecular Weight415.42 g/mol
Exact Mass415.08
IUPAC Name7-[[3-(difluoromethoxy)phenyl]methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCn1nc(OCc2cccc(OC(F)F)c2)c2scc(-c3ccncc3)c2c1=O
InChIInChI=1S/C20H15F2N3O3S/c1-25-19(26)16-15(13-5-7-23-8-6-13)11-29-17(16)18(24-25)27-10-12-3-2-4-14(9-12)28-20(21)22/h2-9,11,20H,10H2,1H3
InChIKeyVSGZVKHXSROFDK-UHFFFAOYSA-N
XLogP4.24
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(difluoromethoxy)phenyl]methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The IUPAC name of 7-[[3-(difluoromethoxy)phenyl]methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one (CID 78427267) is 7-[[3-(difluoromethoxy)phenyl]methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 7-[[3-(difluoromethoxy)phenyl]methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 7-[[3-(difluoromethoxy)phenyl]methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one is Cn1nc(OCc2cccc(OC(F)F)c2)c2scc(-c3ccncc3)c2c1=O.
What is the InChIKey of 7-[[3-(difluoromethoxy)phenyl]methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The InChIKey is VSGZVKHXSROFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3S/c1-25-19(26)16-15(13-5-7-23-8-6-13)11-29-17(16)18(24-25)27-10-12-3-2-4-14(9-12)28-20(21)22/h2-9,11,20H,10H2,1H3.
What are the key properties of 7-[[3-(difluoromethoxy)phenyl]methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
7-[[3-(difluoromethoxy)phenyl]methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one has a molecular weight of 415.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(difluoromethoxy)phenyl]methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 78427267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).