2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one

C20H16F2N6O — CID 153495958

IUPAC2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(CF)ccn2)(c2cc(-c3cccnn3)ccc2F)N=C1N
InChIInChI=1S/C20H16F2N6O/c1-28-18(29)20(26-19(28)23,17-9-12(11-21)6-8-24-17)14-10-13(4-5-15(14)22)16-3-2-7-25-27-16/h2-10H,11H2,1H3,(H2,23,26)
InChIKeyXCTKSIBLHQJJDG-UHFFFAOYSA-N
MW394.39 g/mol
LogP2.18
Rot. Bonds4

About 2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one

2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one (PubChem CID 153495958) has the molecular formula C20H16F2N6O and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one
PubChem CID153495958
Molecular FormulaC20H16F2N6O
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC Name2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(CF)ccn2)(c2cc(-c3cccnn3)ccc2F)N=C1N
InChIInChI=1S/C20H16F2N6O/c1-28-18(29)20(26-19(28)23,17-9-12(11-21)6-8-24-17)14-10-13(4-5-15(14)22)16-3-2-7-25-27-16/h2-10H,11H2,1H3,(H2,23,26)
InChIKeyXCTKSIBLHQJJDG-UHFFFAOYSA-N
XLogP2.18
TPSA97.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one (CID 153495958) is 2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one is CN1C(=O)C(c2cc(CF)ccn2)(c2cc(-c3cccnn3)ccc2F)N=C1N.
What is the InChIKey of 2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one?
The InChIKey is XCTKSIBLHQJJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O/c1-28-18(29)20(26-19(28)23,17-9-12(11-21)6-8-24-17)14-10-13(4-5-15(14)22)16-3-2-7-25-27-16/h2-10H,11H2,1H3,(H2,23,26).
What are the key properties of 2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one?
2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one has a molecular weight of 394.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 153495958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).