2-amino-5-[3-cyclopropyloxy-5-(2-methylpyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,2-oxazol-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-oxazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-thiazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one

C112H99F10N27O12S — CID 158127270

IUPAC2-amino-5-[3-cyclopropyloxy-5-(2-methylpyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,2-oxazol-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-oxazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-thiazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(OC3CC3)cc(-c3ccn[nH]3)c2)(c2ccnc(C(F)F)c2)N=C1N.CN1C(=O)C(c2cc(OC3CC3)cc(-c3ccon3)c2)(c2ccnc(C(F)F)c2)N=C1N.CN1C(=O)C(c2cc(OC3CC3)cc(-c3cnco3)c2)(c2ccnc(C(F)F)c2)N=C1N.CN1C(=O)C(c2cc(OC3CC3)cc(-c3cncs3)c2)(c2ccnc(C(F)F)c2)N=C1N.Cc1ncc(-c2cc(OC3CC3)cc(C3(c4ccnc(C(F)F)c4)N=C(N)N(C)C3=O)c2)cn1
InChIInChI=1S/C24H22F2N6O2.C22H20F2N6O2.2C22H19F2N5O3.C22H19F2N5O2S/c1-13-29-11-15(12-30-13)14-7-17(9-19(8-14)34-18-3-4-18)24(22(33)32(2)23(27)31-24)16-5-6-28-20(10-16)21(25)26;1-30-20(31)22(28-21(30)25,13-4-6-26-18(11-13)19(23)24)14-8-12(17-5-7-27-29-17)9-16(10-14)32-15-2-3-15;1-29-20(30)22(27-21(29)25,13-4-6-26-18(11-13)19(23)24)14-8-12(17-5-7-31-28-17)9-16(10-14)32-15-2-3-15;1-29-20(30)22(28-21(29)25,13-4-5-27-17(9-13)19(23)24)14-6-12(18-10-26-11-31-18)7-16(8-14)32-15-2-3-15;1-29-20(30)22(28-21(29)25,13-4-5-27-17(9-13)19(23)24)14-6-12(18-10-26-11-32-18)7-16(8-14)31-15-2-3-15/h5-12,18,21H,3-4H2,1-2H3,(H2,27,31);4-11,15,19H,2-3H2,1H3,(H2,25,28)(H,27,29);4-11,15,19H,2-3H2,1H3,(H2,25,27);2*4-11,15,19H,2-3H2,1H3,(H2,25,28)
InChIKeyFSILVSQZJYHWGH-UHFFFAOYSA-N
MW2237.25 g/mol
LogP16.54
Rot. Bonds30

About 2-amino-5-[3-cyclopropyloxy-5-(2-methylpyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,2-oxazol-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-oxazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-thiazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one

2-amino-5-[3-cyclopropyloxy-5-(2-methylpyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,2-oxazol-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-oxazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-thiazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one (PubChem CID 158127270) has the molecular formula C112H99F10N27O12S and a molecular weight of 2237.25 g/mol. Its IUPAC name is 2-amino-5-[3-cyclopropyloxy-5-(2-methylpyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,2-oxazol-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-oxazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-thiazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-cyclopropyloxy-5-(2-methylpyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,2-oxazol-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-oxazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-thiazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
PubChem CID158127270
Molecular FormulaC112H99F10N27O12S
Molecular Weight2237.25 g/mol
Exact Mass2235.75
IUPAC Name2-amino-5-[3-cyclopropyloxy-5-(2-methylpyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,2-oxazol-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-oxazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-thiazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(OC3CC3)cc(-c3ccn[nH]3)c2)(c2ccnc(C(F)F)c2)N=C1N.CN1C(=O)C(c2cc(OC3CC3)cc(-c3ccon3)c2)(c2ccnc(C(F)F)c2)N=C1N.CN1C(=O)C(c2cc(OC3CC3)cc(-c3cnco3)c2)(c2ccnc(C(F)F)c2)N=C1N.CN1C(=O)C(c2cc(OC3CC3)cc(-c3cncs3)c2)(c2ccnc(C(F)F)c2)N=C1N.Cc1ncc(-c2cc(OC3CC3)cc(C3(c4ccnc(C(F)F)c4)N=C(N)N(C)C3=O)c2)cn1
InChIInChI=1S/C24H22F2N6O2.C22H20F2N6O2.2C22H19F2N5O3.C22H19F2N5O2S/c1-13-29-11-15(12-30-13)14-7-17(9-19(8-14)34-18-3-4-18)24(22(33)32(2)23(27)31-24)16-5-6-28-20(10-16)21(25)26;1-30-20(31)22(28-21(30)25,13-4-6-26-18(11-13)19(23)24)14-8-12(17-5-7-27-29-17)9-16(10-14)32-15-2-3-15;1-29-20(30)22(27-21(29)25,13-4-6-26-18(11-13)19(23)24)14-8-12(17-5-7-31-28-17)9-16(10-14)32-15-2-3-15;1-29-20(30)22(28-21(29)25,13-4-5-27-17(9-13)19(23)24)14-6-12(18-10-26-11-31-18)7-16(8-14)32-15-2-3-15;1-29-20(30)22(28-21(29)25,13-4-5-27-17(9-13)19(23)24)14-6-12(18-10-26-11-32-18)7-16(8-14)31-15-2-3-15/h5-12,18,21H,3-4H2,1-2H3,(H2,27,31);4-11,15,19H,2-3H2,1H3,(H2,25,28)(H,27,29);4-11,15,19H,2-3H2,1H3,(H2,25,27);2*4-11,15,19H,2-3H2,1H3,(H2,25,28)
InChIKeyFSILVSQZJYHWGH-UHFFFAOYSA-N
XLogP16.54
TPSA523.46 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds30
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002237.25
LogP ≤ 516.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze 2-amino-5-[3-cyclopropyloxy-5-(2-methylpyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,2-oxazol-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-oxazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-thiazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one with MolForge

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Launch Full Analysis

Related Compounds

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
1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;5-tert-butyl-N,N-dimethyl-1,2-oxazole-3-carboxamide;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-propan-2-yl-3-propyl-1,2-oxazole;3-propan-2-ylpyridine
CID 159630485
CID 160278972
CID 160278972
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
CID 160912423
CID 160912423
CID 161331998
CID 161331998
CID 161434547
CID 161434547
1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-tert-butyl-1,5-dimethylpyrazole;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;N-(furan-2-ylmethyl)-2-methylpropan-2-amine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane)
CID 161534457
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-cyclopropyloxy-5-(2-methylpyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,2-oxazol-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-oxazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-thiazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-cyclopropyloxy-5-(2-methylpyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,2-oxazol-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-oxazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-thiazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one (CID 158127270) is 2-amino-5-[3-cyclopropyloxy-5-(2-methylpyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,2-oxazol-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-oxazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-thiazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-cyclopropyloxy-5-(2-methylpyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,2-oxazol-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-oxazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-thiazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-cyclopropyloxy-5-(2-methylpyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,2-oxazol-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-oxazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-thiazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one is CN1C(=O)C(c2cc(OC3CC3)cc(-c3ccn[nH]3)c2)(c2ccnc(C(F)F)c2)N=C1N.CN1C(=O)C(c2cc(OC3CC3)cc(-c3ccon3)c2)(c2ccnc(C(F)F)c2)N=C1N.CN1C(=O)C(c2cc(OC3CC3)cc(-c3cnco3)c2)(c2ccnc(C(F)F)c2)N=C1N.CN1C(=O)C(c2cc(OC3CC3)cc(-c3cncs3)c2)(c2ccnc(C(F)F)c2)N=C1N.Cc1ncc(-c2cc(OC3CC3)cc(C3(c4ccnc(C(F)F)c4)N=C(N)N(C)C3=O)c2)cn1.
What is the InChIKey of 2-amino-5-[3-cyclopropyloxy-5-(2-methylpyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,2-oxazol-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-oxazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-thiazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The InChIKey is FSILVSQZJYHWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2.C22H20F2N6O2.2C22H19F2N5O3.C22H19F2N5O2S/c1-13-29-11-15(12-30-13)14-7-17(9-19(8-14)34-18-3-4-18)24(22(33)32(2)23(27)31-24)16-5-6-28-20(10-16)21(25)26;1-30-20(31)22(28-21(30)25,13-4-6-26-18(11-13)19(23)24)14-8-12(17-5-7-27-29-17)9-16(10-14)32-15-2-3-15;1-29-20(30)22(27-21(29)25,13-4-6-26-18(11-13)19(23)24)14-8-12(17-5-7-31-28-17)9-16(10-14)32-15-2-3-15;1-29-20(30)22(28-21(29)25,13-4-5-27-17(9-13)19(23)24)14-6-12(18-10-26-11-31-18)7-16(8-14)32-15-2-3-15;1-29-20(30)22(28-21(29)25,13-4-5-27-17(9-13)19(23)24)14-6-12(18-10-26-11-32-18)7-16(8-14)31-15-2-3-15/h5-12,18,21H,3-4H2,1-2H3,(H2,27,31);4-11,15,19H,2-3H2,1H3,(H2,25,28)(H,27,29);4-11,15,19H,2-3H2,1H3,(H2,25,27);2*4-11,15,19H,2-3H2,1H3,(H2,25,28).
What are the key properties of 2-amino-5-[3-cyclopropyloxy-5-(2-methylpyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,2-oxazol-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-oxazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-thiazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
2-amino-5-[3-cyclopropyloxy-5-(2-methylpyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,2-oxazol-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-oxazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-thiazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one has a molecular weight of 2237.25 g/mol, XLogP of 16.54, 30 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-cyclopropyloxy-5-(2-methylpyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,2-oxazol-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-oxazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-cyclopropyloxy-5-(1,3-thiazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one is sourced from PubChem (CID 158127270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).