2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one

C22H18F3N5O2 — CID 146624709

IUPAC2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one
SMILESCOc1cc(-c2cncc(F)c2)cc(C2(c3cccc(C(F)F)n3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C22H18F3N5O2/c1-30-20(31)22(29-21(30)26,18-5-3-4-17(28-18)19(24)25)14-6-12(8-16(9-14)32-2)13-7-15(23)11-27-10-13/h3-11,19H,1-2H3,(H2,26,29)
InChIKeyJEHMEANOCYTOKC-UHFFFAOYSA-N
MW441.41 g/mol
LogP3.26
Rot. Bonds5

About 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one

2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one (PubChem CID 146624709) has the molecular formula C22H18F3N5O2 and a molecular weight of 441.41 g/mol. Its IUPAC name is 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one
PubChem CID146624709
Molecular FormulaC22H18F3N5O2
Molecular Weight441.41 g/mol
Exact Mass441.14
IUPAC Name2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one
SMILESCOc1cc(-c2cncc(F)c2)cc(C2(c3cccc(C(F)F)n3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C22H18F3N5O2/c1-30-20(31)22(29-21(30)26,18-5-3-4-17(28-18)19(24)25)14-6-12(8-16(9-14)32-2)13-7-15(23)11-27-10-13/h3-11,19H,1-2H3,(H2,26,29)
InChIKeyJEHMEANOCYTOKC-UHFFFAOYSA-N
XLogP3.26
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one with MolForge

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Related Compounds

2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one
CID 153495924
2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 146622942
2-amino-5-(4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 141128111
2-amino-5-[5-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 137394349
[4-[2-amino-4-[3-(5-methoxy-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl] propane-1-sulfonate;hydrochloride
CID 87682247
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-4-ylphenyl)-3-methylimidazol-4-one
CID 146624577
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 52944484
2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one
CID 25063366
2-amino-5-(3-methoxyphenyl)-3-methyl-5-thiophen-2-ylimidazol-4-one
CID 59772728
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one
CID 146622492
2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one
CID 146622500
[3-[2-amino-4-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl] propane-1-sulfonate;hydrochloride
CID 24986218

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one (CID 146624709) is 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one is COc1cc(-c2cncc(F)c2)cc(C2(c3cccc(C(F)F)n3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one?
The InChIKey is JEHMEANOCYTOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2/c1-30-20(31)22(29-21(30)26,18-5-3-4-17(28-18)19(24)25)14-6-12(8-16(9-14)32-2)13-7-15(23)11-27-10-13/h3-11,19H,1-2H3,(H2,26,29).
What are the key properties of 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one?
2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one has a molecular weight of 441.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[6-(difluoromethyl)-2-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 146624709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).