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

C21H16F3N5O — CID 146622500

IUPAC2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(CF)ccn2)(c2cc(-c3cncc(F)c3)ccc2F)N=C1N
InChIInChI=1S/C21H16F3N5O/c1-29-19(30)21(28-20(29)25,18-6-12(9-22)4-5-27-18)16-8-13(2-3-17(16)24)14-7-15(23)11-26-10-14/h2-8,10-11H,9H2,1H3,(H2,25,28)
InChIKeyYASRIJVHOODTHJ-UHFFFAOYSA-N
MW411.39 g/mol
LogP2.92
Rot. Bonds4

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

2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one (PubChem CID 146622500) has the molecular formula C21H16F3N5O and a molecular weight of 411.39 g/mol. Its IUPAC name is 2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one
PubChem CID146622500
Molecular FormulaC21H16F3N5O
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC Name2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(CF)ccn2)(c2cc(-c3cncc(F)c3)ccc2F)N=C1N
InChIInChI=1S/C21H16F3N5O/c1-29-19(30)21(28-20(29)25,18-6-12(9-22)4-5-27-18)16-8-13(2-3-17(16)24)14-7-15(23)11-26-10-14/h2-8,10-11H,9H2,1H3,(H2,25,28)
InChIKeyYASRIJVHOODTHJ-UHFFFAOYSA-N
XLogP2.92
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-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 2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one (CID 146622500) is 2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one is CN1C(=O)C(c2cc(CF)ccn2)(c2cc(-c3cncc(F)c3)ccc2F)N=C1N.
What is the InChIKey of 2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one?
The InChIKey is YASRIJVHOODTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O/c1-29-19(30)21(28-20(29)25,18-6-12(9-22)4-5-27-18)16-8-13(2-3-17(16)24)14-7-15(23)11-26-10-14/h2-8,10-11H,9H2,1H3,(H2,25,28).
What are the key properties of 2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one?
2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one has a molecular weight of 411.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one is sourced from PubChem (CID 146622500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).