6-(3,5-difluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one

C19H18F2N6O2 — CID 146363992

IUPAC6-(3,5-difluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
SMILESCOc1ccc(/N=C2\NC(=O)N(C)C3=NCC(c4cc(F)cc(F)c4)N32)c(C)n1
InChIInChI=1S/C19H18F2N6O2/c1-10-14(4-5-16(23-10)29-3)24-17-25-19(28)26(2)18-22-9-15(27(17)18)11-6-12(20)8-13(21)7-11/h4-8,15H,9H2,1-3H3,(H,24,25,28)
InChIKeyCYFQIONTPDLSBM-UHFFFAOYSA-N
MW400.39 g/mol
LogP2.73
Rot. Bonds3

About 6-(3,5-difluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one

6-(3,5-difluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one (PubChem CID 146363992) has the molecular formula C19H18F2N6O2 and a molecular weight of 400.39 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
PubChem CID146363992
Molecular FormulaC19H18F2N6O2
Molecular Weight400.39 g/mol
Exact Mass400.15
IUPAC Name6-(3,5-difluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
SMILESCOc1ccc(/N=C2\NC(=O)N(C)C3=NCC(c4cc(F)cc(F)c4)N32)c(C)n1
InChIInChI=1S/C19H18F2N6O2/c1-10-14(4-5-16(23-10)29-3)24-17-25-19(28)26(2)18-22-9-15(27(17)18)11-6-12(20)8-13(21)7-11/h4-8,15H,9H2,1-3H3,(H,24,25,28)
InChIKeyCYFQIONTPDLSBM-UHFFFAOYSA-N
XLogP2.73
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
The IUPAC name of 6-(3,5-difluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one (CID 146363992) is 6-(3,5-difluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one is COc1ccc(/N=C2\NC(=O)N(C)C3=NCC(c4cc(F)cc(F)c4)N32)c(C)n1.
What is the InChIKey of 6-(3,5-difluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
The InChIKey is CYFQIONTPDLSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O2/c1-10-14(4-5-16(23-10)29-3)24-17-25-19(28)26(2)18-22-9-15(27(17)18)11-6-12(20)8-13(21)7-11/h4-8,15H,9H2,1-3H3,(H,24,25,28).
What are the key properties of 6-(3,5-difluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one?
6-(3,5-difluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one has a molecular weight of 400.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-4-[(6-methoxy-2-methyl-3-pyridinyl)imino]-1-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one is sourced from PubChem (CID 146363992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).