2-(5,6-dimethoxy-3-pyridinyl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one

C20H15F3N4O5S — CID 72707143

IUPAC2-(5,6-dimethoxy-3-pyridinyl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one
SMILESCOc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ncccc3S2(=O)=O)cnc1OC
InChIInChI=1S/C20H15F3N4O5S/c1-31-16-8-12(9-25-19(16)32-2)27-20(28)26(10-13-14(22)6-11(21)7-15(13)23)18-17(33(27,29)30)4-3-5-24-18/h3-9H,10H2,1-2H3
InChIKeySUQZCEUKWPKXEE-UHFFFAOYSA-N
MW480.42 g/mol
LogP3.25
Rot. Bonds5

About 2-(5,6-dimethoxy-3-pyridinyl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one

2-(5,6-dimethoxy-3-pyridinyl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one (PubChem CID 72707143) has the molecular formula C20H15F3N4O5S and a molecular weight of 480.42 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one
PubChem CID72707143
Molecular FormulaC20H15F3N4O5S
Molecular Weight480.42 g/mol
Exact Mass480.07
IUPAC Name2-(5,6-dimethoxy-3-pyridinyl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one
SMILESCOc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ncccc3S2(=O)=O)cnc1OC
InChIInChI=1S/C20H15F3N4O5S/c1-31-16-8-12(9-25-19(16)32-2)27-20(28)26(10-13-14(22)6-11(21)7-15(13)23)18-17(33(27,29)30)4-3-5-24-18/h3-9H,10H2,1-2H3
InChIKeySUQZCEUKWPKXEE-UHFFFAOYSA-N
XLogP3.25
TPSA101.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(5,6-dimethoxy-3-pyridinyl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one (CID 72707143) is 2-(5,6-dimethoxy-3-pyridinyl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one is COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ncccc3S2(=O)=O)cnc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one?
The InChIKey is SUQZCEUKWPKXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O5S/c1-31-16-8-12(9-25-19(16)32-2)27-20(28)26(10-13-14(22)6-11(21)7-15(13)23)18-17(33(27,29)30)4-3-5-24-18/h3-9H,10H2,1-2H3.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one?
2-(5,6-dimethoxy-3-pyridinyl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one has a molecular weight of 480.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-3-pyridinyl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one is sourced from PubChem (CID 72707143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).