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

C21H18F2N6O — CID 153496031

IUPAC2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one
SMILESCc1ncc(-c2ccc(F)c(C3(c4ccnc(CF)c4)N=C(N)N(C)C3=O)c2)cn1
InChIInChI=1S/C21H18F2N6O/c1-12-26-10-14(11-27-12)13-3-4-18(23)17(7-13)21(19(30)29(2)20(24)28-21)15-5-6-25-16(8-15)9-22/h3-8,10-11H,9H2,1-2H3,(H2,24,28)
InChIKeyKLJBZLQDROWHOJ-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.49
Rot. Bonds4

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

2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one (PubChem CID 153496031) has the molecular formula C21H18F2N6O and a molecular weight of 408.41 g/mol. Its IUPAC name is 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one
PubChem CID153496031
Molecular FormulaC21H18F2N6O
Molecular Weight408.41 g/mol
Exact Mass408.15
IUPAC Name2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one
SMILESCc1ncc(-c2ccc(F)c(C3(c4ccnc(CF)c4)N=C(N)N(C)C3=O)c2)cn1
InChIInChI=1S/C21H18F2N6O/c1-12-26-10-14(11-27-12)13-3-4-18(23)17(7-13)21(19(30)29(2)20(24)28-21)15-5-6-25-16(8-15)9-22/h3-8,10-11H,9H2,1-2H3,(H2,24,28)
InChIKeyKLJBZLQDROWHOJ-UHFFFAOYSA-N
XLogP2.49
TPSA97.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one with MolForge

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Related Compounds

2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one
CID 146622967
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one
CID 147704854
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 146622949
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one
CID 153496004
2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 146622446
2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 153496056
2-amino-5-[4-(difluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one
CID 146624728
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-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one
CID 146622500
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-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
CID 147941444
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-4-ylphenyl)-3-methylimidazol-4-one
CID 146624577

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one (CID 153496031) is 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one is Cc1ncc(-c2ccc(F)c(C3(c4ccnc(CF)c4)N=C(N)N(C)C3=O)c2)cn1.
What is the InChIKey of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one?
The InChIKey is KLJBZLQDROWHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O/c1-12-26-10-14(11-27-12)13-3-4-18(23)17(7-13)21(19(30)29(2)20(24)28-21)15-5-6-25-16(8-15)9-22/h3-8,10-11H,9H2,1-2H3,(H2,24,28).
What are the key properties of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one?
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one has a molecular weight of 408.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 153496031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).