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

C24H24FN5O — CID 46231556

IUPAC2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCCc1cc(C2(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)
InChIKeyFWLPFLWMHMGKPS-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.44
Rot. Bonds5

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

2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one (PubChem CID 46231556) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
PubChem CID46231556
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCCc1cc(C2(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)
InChIKeyFWLPFLWMHMGKPS-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one (CID 46231556) is 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 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one is CCc1cc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cc(CC)n1.
What is the InChIKey of 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The InChIKey is FWLPFLWMHMGKPS-UHFFFAOYSA-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).
What are the key properties of 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
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 2-amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 46231556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).