2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one

C20H16FN5O — CID 46884002

IUPAC2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
SMILESCN1C(=O)C(c2ccncc2)(c2cccc(-c3cccnc3F)c2)N=C1N
InChIInChI=1S/C20H16FN5O/c1-26-18(27)20(25-19(26)22,14-7-10-23-11-8-14)15-5-2-4-13(12-15)16-6-3-9-24-17(16)21/h2-12H,1H3,(H2,22,25)
InChIKeyCMYIUDXGRYVNQW-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.31
Rot. Bonds3

About 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one

2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one (PubChem CID 46884002) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
PubChem CID46884002
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
SMILESCN1C(=O)C(c2ccncc2)(c2cccc(-c3cccnc3F)c2)N=C1N
InChIInChI=1S/C20H16FN5O/c1-26-18(27)20(25-19(26)22,14-7-10-23-11-8-14)15-5-2-4-13(12-15)16-6-3-9-24-17(16)21/h2-12H,1H3,(H2,22,25)
InChIKeyCMYIUDXGRYVNQW-UHFFFAOYSA-N
XLogP2.31
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.31
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-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one (CID 46884002) is 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one is CN1C(=O)C(c2ccncc2)(c2cccc(-c3cccnc3F)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
The InChIKey is CMYIUDXGRYVNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-26-18(27)20(25-19(26)22,14-7-10-23-11-8-14)15-5-2-4-13(12-15)16-6-3-9-24-17(16)21/h2-12H,1H3,(H2,22,25).
What are the key properties of 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one?
2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one has a molecular weight of 361.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one is sourced from PubChem (CID 46884002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).