2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one

C21H18F2N6O2 — CID 152957945

IUPAC2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one
SMILESCOc1cc(-c2cccnn2)cc(C2(c3ccnc(C(F)F)c3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C21H18F2N6O2/c1-29-19(30)21(27-20(29)24,13-5-7-25-17(11-13)18(22)23)14-8-12(9-15(10-14)31-2)16-4-3-6-26-28-16/h3-11,18H,1-2H3,(H2,24,27)
InChIKeyUPZQTYKJQZWQLO-UHFFFAOYSA-N
MW424.41 g/mol
LogP2.52
Rot. Bonds5

About 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one

2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one (PubChem CID 152957945) has the molecular formula C21H18F2N6O2 and a molecular weight of 424.41 g/mol. Its IUPAC name is 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one
PubChem CID152957945
Molecular FormulaC21H18F2N6O2
Molecular Weight424.41 g/mol
Exact Mass424.15
IUPAC Name2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one
SMILESCOc1cc(-c2cccnn2)cc(C2(c3ccnc(C(F)F)c3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C21H18F2N6O2/c1-29-19(30)21(27-20(29)24,13-5-7-25-17(11-13)18(22)23)14-8-12(9-15(10-14)31-2)16-4-3-6-26-28-16/h3-11,18H,1-2H3,(H2,24,27)
InChIKeyUPZQTYKJQZWQLO-UHFFFAOYSA-N
XLogP2.52
TPSA106.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-(4-methoxy-3-(trifluoromethyl)phenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11532248
2-amino-4-(3,4-dimethoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11589453
2-amino-4-(3-fluoro-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11632510
2-Amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one
CID 15951486
2-Amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 15951489
(4S)-2-amino-4-(4-fluoro-3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 44631933
(4R)-2-amino-4-(4-fluoro-3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 45488105
2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one
CID 45488111
2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 45488119
2-Amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one
CID 45488121
(R)-2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one
CID 52946950
2-Amino-3-cyclohexyl-5-(3-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 76313967

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one (CID 152957945) is 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one is COc1cc(-c2cccnn2)cc(C2(c3ccnc(C(F)F)c3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one?
The InChIKey is UPZQTYKJQZWQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O2/c1-29-19(30)21(27-20(29)24,13-5-7-25-17(11-13)18(22)23)14-8-12(9-15(10-14)31-2)16-4-3-6-26-28-16/h3-11,18H,1-2H3,(H2,24,27).
What are the key properties of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one?
2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one has a molecular weight of 424.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 152957945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).