(5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one

C24H24FN5O — CID 46231555

IUPAC(5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCCc1cc([C@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cc(CC)n1
InChIInChI=1S/C24H24FN5O/c1-4-18-13-17(14-19(5-2)28-18)24(22(31)30(3)23(26)29-24)16-9-6-8-15(12-16)20-10-7-11-27-21(20)25/h6-14H,4-5H2,1-3H3,(H2,26,29)/t24-/m0/s1
InChIKeyFWLPFLWMHMGKPS-DEOSSOPVSA-N
MW417.49 g/mol
LogP3.44
Rot. Bonds5

About (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one

(5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one (PubChem CID 46231555) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name(5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
PubChem CID46231555
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name(5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCCc1cc([C@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cc(CC)n1
InChIInChI=1S/C24H24FN5O/c1-4-18-13-17(14-19(5-2)28-18)24(22(31)30(3)23(26)29-24)16-9-6-8-15(12-16)20-10-7-11-27-21(20)25/h6-14H,4-5H2,1-3H3,(H2,26,29)/t24-/m0/s1
InChIKeyFWLPFLWMHMGKPS-DEOSSOPVSA-N
XLogP3.44
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one with MolForge

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Related Compounds

(5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 16726085
(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)-5-Cyclopropyl-2-Imino-3-Methyl-5-{3-[5-(Prop-1-Yn-1-Yl)pyridin-3-Yl]phenyl}imidazolidin-4-One
CID 57404339
(2e,5r)-2-Imino-3-Methyl-5-Phenyl-5-[3-(Pyridin-3-Yl)phenyl]imidazolidin-4-One
CID 70685236
(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one
CID 11185491
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-[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-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 15950086

Frequently Asked Questions

What is the IUPAC name of (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one (CID 46231555) is (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one is CCc1cc([C@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cc(CC)n1.
What is the InChIKey of (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The InChIKey is FWLPFLWMHMGKPS-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-4-18-13-17(14-19(5-2)28-18)24(22(31)30(3)23(26)29-24)16-9-6-8-15(12-16)20-10-7-11-27-21(20)25/h6-14H,4-5H2,1-3H3,(H2,26,29)/t24-/m0/s1.
What are the key properties of (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
(5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one has a molecular weight of 417.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 46231555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).