5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one

C19H19ClFN5O2 — CID 172554478

IUPAC5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILES[2H]C([2H])([2H])OC(c1ccc(F)cc1C)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C19H19ClFN5O2/c1-11-7-12(21)3-4-13(11)18(28-2)15-8-22-16-10-25(5-6-26(15)16)14-9-23-24-19(27)17(14)20/h3-4,7-9,18H,5-6,10H2,1-2H3,(H,24,27)/i2D3
InChIKeySUTZKTJVINCPDF-BMSJAHLVSA-N
MW406.86 g/mol
LogP2.82
Rot. Bonds5

About 5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one

5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (PubChem CID 172554478) has the molecular formula C19H19ClFN5O2 and a molecular weight of 406.86 g/mol. Its IUPAC name is 5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
PubChem CID172554478
Molecular FormulaC19H19ClFN5O2
Molecular Weight406.86 g/mol
Exact Mass406.14
IUPAC Name5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILES[2H]C([2H])([2H])OC(c1ccc(F)cc1C)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C19H19ClFN5O2/c1-11-7-12(21)3-4-13(11)18(28-2)15-8-22-16-10-25(5-6-26(15)16)14-9-23-24-19(27)17(14)20/h3-4,7-9,18H,5-6,10H2,1-2H3,(H,24,27)/i2D3
InChIKeySUTZKTJVINCPDF-BMSJAHLVSA-N
XLogP2.82
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.86
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (CID 172554478) is 5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is [2H]C([2H])([2H])OC(c1ccc(F)cc1C)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The InChIKey is SUTZKTJVINCPDF-BMSJAHLVSA-N. The full InChI is InChI=1S/C19H19ClFN5O2/c1-11-7-12(21)3-4-13(11)18(28-2)15-8-22-16-10-25(5-6-26(15)16)14-9-23-24-19(27)17(14)20/h3-4,7-9,18H,5-6,10H2,1-2H3,(H,24,27)/i2D3.
What are the key properties of 5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one has a molecular weight of 406.86 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-[(4-fluoro-2-methylphenyl)-(trideuteriomethoxy)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 172554478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).