2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one

C23H20FN5O2 — CID 24990571

IUPAC2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccc3c(c2)CCCO3)(c2ccc(F)c(-c3cncnc3)c2)N=C1N
InChIInChI=1S/C23H20FN5O2/c1-29-21(30)23(28-22(29)25,16-5-7-20-14(9-16)3-2-8-31-20)17-4-6-19(24)18(10-17)15-11-26-13-27-12-15/h4-7,9-13H,2-3,8H2,1H3,(H2,25,28)
InChIKeyKDGHTYYIGVERSX-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.64
Rot. Bonds3

About 2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one

2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one (PubChem CID 24990571) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one
PubChem CID24990571
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccc3c(c2)CCCO3)(c2ccc(F)c(-c3cncnc3)c2)N=C1N
InChIInChI=1S/C23H20FN5O2/c1-29-21(30)23(28-22(29)25,16-5-7-20-14(9-16)3-2-8-31-20)17-4-6-19(24)18(10-17)15-11-26-13-27-12-15/h4-7,9-13H,2-3,8H2,1H3,(H2,25,28)
InChIKeyKDGHTYYIGVERSX-UHFFFAOYSA-N
XLogP2.64
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-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-(3,4-dihydro-2H-chromen-6-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one (CID 24990571) is 2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one is CN1C(=O)C(c2ccc3c(c2)CCCO3)(c2ccc(F)c(-c3cncnc3)c2)N=C1N.
What is the InChIKey of 2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one?
The InChIKey is KDGHTYYIGVERSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-29-21(30)23(28-22(29)25,16-5-7-20-14(9-16)3-2-8-31-20)17-4-6-19(24)18(10-17)15-11-26-13-27-12-15/h4-7,9-13H,2-3,8H2,1H3,(H2,25,28).
What are the key properties of 2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one?
2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one has a molecular weight of 417.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 24990571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).