2-amino-5-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one

C20H18F2N6O — CID 56672296

IUPAC2-amino-5-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cccnc3F)c2)(c2cnn(CCF)c2)N=C1N
InChIInChI=1S/C20H18F2N6O/c1-27-18(29)20(26-19(27)23,15-11-25-28(12-15)9-7-21)14-5-2-4-13(10-14)16-6-3-8-24-17(16)22/h2-6,8,10-12H,7,9H2,1H3,(H2,23,26)
InChIKeyWTRPZTMQYKOUOO-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.08
Rot. Bonds5

About 2-amino-5-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one

2-amino-5-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one (PubChem CID 56672296) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is 2-amino-5-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
PubChem CID56672296
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Name2-amino-5-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cccnc3F)c2)(c2cnn(CCF)c2)N=C1N
InChIInChI=1S/C20H18F2N6O/c1-27-18(29)20(26-19(27)23,15-11-25-28(12-15)9-7-21)14-5-2-4-13(10-14)16-6-3-8-24-17(16)22/h2-6,8,10-12H,7,9H2,1H3,(H2,23,26)
InChIKeyWTRPZTMQYKOUOO-UHFFFAOYSA-N
XLogP2.08
TPSA89.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-5-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-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-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one (CID 56672296) is 2-amino-5-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one is CN1C(=O)C(c2cccc(-c3cccnc3F)c2)(c2cnn(CCF)c2)N=C1N.
What is the InChIKey of 2-amino-5-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The InChIKey is WTRPZTMQYKOUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O/c1-27-18(29)20(26-19(27)23,15-11-25-28(12-15)9-7-21)14-5-2-4-13(10-14)16-6-3-8-24-17(16)22/h2-6,8,10-12H,7,9H2,1H3,(H2,23,26).
What are the key properties of 2-amino-5-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
2-amino-5-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one has a molecular weight of 396.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 56672296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).