(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxyphenyl)-3-methylimidazol-4-one

C22H19FN4O2 — CID 52940827

IUPAC(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxyphenyl)-3-methylimidazol-4-one
SMILESCOc1ccc([C@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cc1
InChIInChI=1S/C22H19FN4O2/c1-27-20(28)22(26-21(27)24,15-8-10-17(29-2)11-9-15)16-6-3-5-14(13-16)18-7-4-12-25-19(18)23/h3-13H,1-2H3,(H2,24,26)/t22-/m1/s1
InChIKeyRIWZSRFUUJMOEH-JOCHJYFZSA-N
MW390.42 g/mol
LogP2.93
Rot. Bonds4

About (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxyphenyl)-3-methylimidazol-4-one

(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxyphenyl)-3-methylimidazol-4-one (PubChem CID 52940827) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxyphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxyphenyl)-3-methylimidazol-4-one
PubChem CID52940827
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxyphenyl)-3-methylimidazol-4-one
SMILESCOc1ccc([C@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cc1
InChIInChI=1S/C22H19FN4O2/c1-27-20(28)22(26-21(27)24,15-8-10-17(29-2)11-9-15)16-6-3-5-14(13-16)18-7-4-12-25-19(18)23/h3-13H,1-2H3,(H2,24,26)/t22-/m1/s1
InChIKeyRIWZSRFUUJMOEH-JOCHJYFZSA-N
XLogP2.93
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxyphenyl)-3-methylimidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxyphenyl)-3-methylimidazol-4-one?
The IUPAC name of (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxyphenyl)-3-methylimidazol-4-one (CID 52940827) is (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxyphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxyphenyl)-3-methylimidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxyphenyl)-3-methylimidazol-4-one is COc1ccc([C@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cc1.
What is the InChIKey of (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxyphenyl)-3-methylimidazol-4-one?
The InChIKey is RIWZSRFUUJMOEH-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-27-20(28)22(26-21(27)24,15-8-10-17(29-2)11-9-15)16-6-3-5-14(13-16)18-7-4-12-25-19(18)23/h3-13H,1-2H3,(H2,24,26)/t22-/m1/s1.
What are the key properties of (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxyphenyl)-3-methylimidazol-4-one?
(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxyphenyl)-3-methylimidazol-4-one has a molecular weight of 390.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxyphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 52940827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).