2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one

C20H14F4N6O — CID 146624728

IUPAC2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(C(F)F)ccn2)(c2cc(-c3cnc(F)nc3)ccc2F)N=C1N
InChIInChI=1S/C20H14F4N6O/c1-30-17(31)20(29-19(30)25,15-7-11(16(22)23)4-5-26-15)13-6-10(2-3-14(13)21)12-8-27-18(24)28-9-12/h2-9,16H,1H3,(H2,25,29)
InChIKeyOBAQNFWEQCJYDK-UHFFFAOYSA-N
MW430.37 g/mol
LogP2.78
Rot. Bonds4

About 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one

2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one (PubChem CID 146624728) has the molecular formula C20H14F4N6O and a molecular weight of 430.37 g/mol. Its IUPAC name is 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one
PubChem CID146624728
Molecular FormulaC20H14F4N6O
Molecular Weight430.37 g/mol
Exact Mass430.12
IUPAC Name2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(C(F)F)ccn2)(c2cc(-c3cnc(F)nc3)ccc2F)N=C1N
InChIInChI=1S/C20H14F4N6O/c1-30-17(31)20(29-19(30)25,15-7-11(16(22)23)4-5-26-15)13-6-10(2-3-14(13)21)12-8-27-18(24)28-9-12/h2-9,16H,1H3,(H2,25,29)
InChIKeyOBAQNFWEQCJYDK-UHFFFAOYSA-N
XLogP2.78
TPSA97.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one
CID 146624692
2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one
CID 146622500
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one
CID 153496031
2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one
CID 153495958
2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(2-fluoro-5-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one
CID 153339163
2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
CID 146624658
2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
CID 147941444
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one
CID 146622967
2-amino-5-[5-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 137394349
2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one
CID 146622761
2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one
CID 146622715
2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[2,4-difluoro-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one
CID 146624670

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one (CID 146624728) is 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one is CN1C(=O)C(c2cc(C(F)F)ccn2)(c2cc(-c3cnc(F)nc3)ccc2F)N=C1N.
What is the InChIKey of 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one?
The InChIKey is OBAQNFWEQCJYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N6O/c1-30-17(31)20(29-19(30)25,15-7-11(16(22)23)4-5-26-15)13-6-10(2-3-14(13)21)12-8-27-18(24)28-9-12/h2-9,16H,1H3,(H2,25,29).
What are the key properties of 2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one?
2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one has a molecular weight of 430.37 g/mol, XLogP of 2.78, 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-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 146624728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).