2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one

C119H98F11N31O8S — CID 160720950

IUPAC2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
SMILESCN1C(=O)C(c2ccc(C(F)(F)F)nc2)(c2cccc(-c3cccnc3F)c2)N=C1N.CN1C(=O)C(c2ccc(CF)nc2)(c2cccc(-c3ccon3)c2)N=C1N.CN1C(=O)C(c2cccc(-c3ccn[nH]3)c2)(c2ccc(CF)cn2)N=C1N.CN1C(=O)C(c2cccc(-c3cnco3)c2)(c2ccc(CF)cn2)N=C1N.CN1C(=O)C(c2cccc(-c3cncs3)c2)(c2ccc(CF)cn2)N=C1N.Cc1ncccc1-c1cccc(C2(c3ccc(C(F)(F)F)nc3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C22H18F3N5O.C21H15F4N5O.C19H17FN6O.2C19H16FN5O2.C19H16FN5OS/c1-13-17(7-4-10-27-13)14-5-3-6-15(11-14)21(19(31)30(2)20(26)29-21)16-8-9-18(28-12-16)22(23,24)25;1-30-18(31)20(29-19(30)26,14-7-8-16(28-11-14)21(23,24)25)13-5-2-4-12(10-13)15-6-3-9-27-17(15)22;1-26-17(27)19(24-18(26)21,16-6-5-12(10-20)11-22-16)14-4-2-3-13(9-14)15-7-8-23-25-15;1-25-17(26)19(24-18(25)21,16-6-5-12(8-20)9-23-16)14-4-2-3-13(7-14)15-10-22-11-27-15;1-25-17(26)19(23-18(25)21,14-5-6-15(10-20)22-11-14)13-4-2-3-12(9-13)16-7-8-27-24-16;1-25-17(26)19(24-18(25)21,16-6-5-12(8-20)9-23-16)14-4-2-3-13(7-14)15-10-22-11-27-15/h3-12H,1-2H3,(H2,26,29);2-11H,1H3,(H2,26,29);2-9,11H,10H2,1H3,(H2,21,24)(H,23,25);2-7,9-11H,8H2,1H3,(H2,21,24);2-9,11H,10H2,1H3,(H2,21,23);2-7,9-11H,8H2,1H3,(H2,21,24)
InChIKeyRTCCBMHURKITGY-UHFFFAOYSA-N
MW2331.35 g/mol
LogP15.98
Rot. Bonds22

About 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one

2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one (PubChem CID 160720950) has the molecular formula C119H98F11N31O8S and a molecular weight of 2331.35 g/mol. Its IUPAC name is 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
PubChem CID160720950
Molecular FormulaC119H98F11N31O8S
Molecular Weight2331.35 g/mol
Exact Mass2329.78
IUPAC Name2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
SMILESCN1C(=O)C(c2ccc(C(F)(F)F)nc2)(c2cccc(-c3cccnc3F)c2)N=C1N.CN1C(=O)C(c2ccc(CF)nc2)(c2cccc(-c3ccon3)c2)N=C1N.CN1C(=O)C(c2cccc(-c3ccn[nH]3)c2)(c2ccc(CF)cn2)N=C1N.CN1C(=O)C(c2cccc(-c3cnco3)c2)(c2ccc(CF)cn2)N=C1N.CN1C(=O)C(c2cccc(-c3cncs3)c2)(c2ccc(CF)cn2)N=C1N.Cc1ncccc1-c1cccc(C2(c3ccc(C(F)(F)F)nc3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C22H18F3N5O.C21H15F4N5O.C19H17FN6O.2C19H16FN5O2.C19H16FN5OS/c1-13-17(7-4-10-27-13)14-5-3-6-15(11-14)21(19(31)30(2)20(26)29-21)16-8-9-18(28-12-16)22(23,24)25;1-30-18(31)20(29-19(30)26,14-7-8-16(28-11-14)21(23,24)25)13-5-2-4-12(10-13)15-6-3-9-27-17(15)22;1-26-17(27)19(24-18(26)21,16-6-5-12(10-20)11-22-16)14-4-2-3-13(9-14)15-7-8-23-25-15;1-25-17(26)19(24-18(25)21,16-6-5-12(8-20)9-23-16)14-4-2-3-13(7-14)15-10-22-11-27-15;1-25-17(26)19(23-18(25)21,14-5-6-15(10-20)22-11-14)13-4-2-3-12(9-13)16-7-8-27-24-16;1-25-17(26)19(24-18(25)21,16-6-5-12(8-20)9-23-16)14-4-2-3-13(7-14)15-10-22-11-27-15/h3-12H,1-2H3,(H2,26,29);2-11H,1H3,(H2,26,29);2-9,11H,10H2,1H3,(H2,21,24)(H,23,25);2-7,9-11H,8H2,1H3,(H2,21,24);2-9,11H,10H2,1H3,(H2,21,23);2-7,9-11H,8H2,1H3,(H2,21,24)
InChIKeyRTCCBMHURKITGY-UHFFFAOYSA-N
XLogP15.98
TPSA548.89 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002331.35
LogP ≤ 515.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one with MolForge

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Related Compounds

5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 158505355
2-Amino-5-[2-fluoro-5-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 158760585
CID 160278972
CID 160278972
CID 161331998
CID 161331998
CID 161434547
CID 161434547
2-Amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methylpyrimidin-5-yl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-oxazol-4-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-thiophen-3-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 161609887
2-amino-5-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(1,2-oxazol-3-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 161678967
CID 167627776
CID 167627776
2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one
CID 157158078
cumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157392476
2-amino-5-[2,4-difluoro-5-(2-fluoro-3-pyridinyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[2,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one
CID 157855334
CID 158116897
CID 158116897

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one?
The IUPAC name of 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one (CID 160720950) is 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one is CN1C(=O)C(c2ccc(C(F)(F)F)nc2)(c2cccc(-c3cccnc3F)c2)N=C1N.CN1C(=O)C(c2ccc(CF)nc2)(c2cccc(-c3ccon3)c2)N=C1N.CN1C(=O)C(c2cccc(-c3ccn[nH]3)c2)(c2ccc(CF)cn2)N=C1N.CN1C(=O)C(c2cccc(-c3cnco3)c2)(c2ccc(CF)cn2)N=C1N.CN1C(=O)C(c2cccc(-c3cncs3)c2)(c2ccc(CF)cn2)N=C1N.Cc1ncccc1-c1cccc(C2(c3ccc(C(F)(F)F)nc3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one?
The InChIKey is RTCCBMHURKITGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O.C21H15F4N5O.C19H17FN6O.2C19H16FN5O2.C19H16FN5OS/c1-13-17(7-4-10-27-13)14-5-3-6-15(11-14)21(19(31)30(2)20(26)29-21)16-8-9-18(28-12-16)22(23,24)25;1-30-18(31)20(29-19(30)26,14-7-8-16(28-11-14)21(23,24)25)13-5-2-4-12(10-13)15-6-3-9-27-17(15)22;1-26-17(27)19(24-18(26)21,16-6-5-12(10-20)11-22-16)14-4-2-3-13(9-14)15-7-8-23-25-15;1-25-17(26)19(24-18(25)21,16-6-5-12(8-20)9-23-16)14-4-2-3-13(7-14)15-10-22-11-27-15;1-25-17(26)19(23-18(25)21,14-5-6-15(10-20)22-11-14)13-4-2-3-12(9-13)16-7-8-27-24-16;1-25-17(26)19(24-18(25)21,16-6-5-12(8-20)9-23-16)14-4-2-3-13(7-14)15-10-22-11-27-15/h3-12H,1-2H3,(H2,26,29);2-11H,1H3,(H2,26,29);2-9,11H,10H2,1H3,(H2,21,24)(H,23,25);2-7,9-11H,8H2,1H3,(H2,21,24);2-9,11H,10H2,1H3,(H2,21,23);2-7,9-11H,8H2,1H3,(H2,21,24).
What are the key properties of 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one?
2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one has a molecular weight of 2331.35 g/mol, XLogP of 15.98, 22 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one is sourced from PubChem (CID 160720950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).