2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one

C20H18F2N6O — CID 15950086

IUPAC2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCCn1cc(C2(c3ccc(F)c(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1
InChIInChI=1S/C20H18F2N6O/c1-3-28-11-13(10-25-28)20(18(29)27(2)19(23)26-20)12-6-7-16(21)15(9-12)14-5-4-8-24-17(14)22/h4-11H,3H2,1-2H3,(H2,23,26)
InChIKeyXLKFXPAKZSTNHX-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.27
Rot. Bonds4

About 2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one

2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one (PubChem CID 15950086) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is 2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
PubChem CID15950086
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Name2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCCn1cc(C2(c3ccc(F)c(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1
InChIInChI=1S/C20H18F2N6O/c1-3-28-11-13(10-25-28)20(18(29)27(2)19(23)26-20)12-6-7-16(21)15(9-12)14-5-4-8-24-17(14)22/h4-11H,3H2,1-2H3,(H2,23,26)
InChIKeyXLKFXPAKZSTNHX-UHFFFAOYSA-N
XLogP2.27
TPSA89.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one with MolForge

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Related Compounds

(5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
CID 46830239
(2e,5r)-2-Imino-3-Methyl-5-Phenyl-5-[3-(Pyridin-3-Yl)phenyl]imidazolidin-4-One
CID 70685236
2-Amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 11359820
2-Amino-5-[3-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 11544998
2-Amino-5-cyclopropyl-5-[3-(5-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 11609507
2-Amino-5-(2',5'-difluoro-1,1'-biphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
CID 11990754
2-Amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one
CID 11990755
2-Amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazol-4-one
CID 15950003
2-Amino-5-(1-butylpyrazol-4-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 15950004
2-Amino-3-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 15950005
2-Amino-5-(1-butylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 15950006
2-Amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-4-one
CID 15950085

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one (CID 15950086) is 2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one is CCn1cc(C2(c3ccc(F)c(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1.
What is the InChIKey of 2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The InChIKey is XLKFXPAKZSTNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O/c1-3-28-11-13(10-25-28)20(18(29)27(2)19(23)26-20)12-6-7-16(21)15(9-12)14-5-4-8-24-17(14)22/h4-11H,3H2,1-2H3,(H2,23,26).
What are the key properties of 2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one has a molecular weight of 396.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 15950086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).