2-amino-5-[2-(dimethylamino)-4-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[5-(dimethylamino)-3-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxy-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-propan-2-yl-4-pyridinyl)imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one

C99H112F8N22O11 — CID 157179165

IUPAC2-amino-5-[2-(dimethylamino)-4-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[5-(dimethylamino)-3-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxy-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-propan-2-yl-4-pyridinyl)imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
SMILESCOc1cc(C2(c3ccc(OC(C)F)c(C)c3)N=C(N)N(C)C2=O)ccn1.Cc1cc(C2(c3ccnc(C(C)C)c3)N=C(N)N(C)C2=O)ccc1OC(C)F.Cc1cc(C2(c3ccnc(C(F)(F)F)c3)N=C(N)N(C)C2=O)ccc1OC(C)F.Cc1cc(C2(c3ccnc(N(C)C)c3)N=C(N)N(C)C2=O)ccc1OC(C)F.Cc1cc(C2(c3cncc(N(C)C)c3)N=C(N)N(C)C2=O)ccc1OC(C)F
InChIInChI=1S/C21H25FN4O2.2C20H24FN5O2.C19H18F4N4O2.C19H21FN4O3/c1-12(2)17-11-16(8-9-24-17)21(19(27)26(5)20(23)25-21)15-6-7-18(13(3)10-15)28-14(4)22;1-12-8-14(6-7-17(12)28-13(2)21)20(18(27)26(5)19(22)24-20)15-9-16(25(3)4)11-23-10-15;1-12-10-14(6-7-16(12)28-13(2)21)20(18(27)26(5)19(22)24-20)15-8-9-23-17(11-15)25(3)4;1-10-8-12(4-5-14(10)29-11(2)20)18(16(28)27(3)17(24)26-18)13-6-7-25-15(9-13)19(21,22)23;1-11-9-13(5-6-15(11)27-12(2)20)19(17(25)24(3)18(21)23-19)14-7-8-22-16(10-14)26-4/h6-12,14H,1-5H3,(H2,23,25);2*6-11,13H,1-5H3,(H2,22,24);4-9,11H,1-3H3,(H2,24,26);5-10,12H,1-4H3,(H2,21,23)
InChIKeyAOJGKDGMEYHPAL-UHFFFAOYSA-N
MW1938.11 g/mol
LogP12.86
Rot. Bonds24

About 2-amino-5-[2-(dimethylamino)-4-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[5-(dimethylamino)-3-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxy-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-propan-2-yl-4-pyridinyl)imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one

2-amino-5-[2-(dimethylamino)-4-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[5-(dimethylamino)-3-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxy-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-propan-2-yl-4-pyridinyl)imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one (PubChem CID 157179165) has the molecular formula C99H112F8N22O11 and a molecular weight of 1938.11 g/mol. Its IUPAC name is 2-amino-5-[2-(dimethylamino)-4-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[5-(dimethylamino)-3-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxy-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-propan-2-yl-4-pyridinyl)imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[2-(dimethylamino)-4-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[5-(dimethylamino)-3-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxy-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-propan-2-yl-4-pyridinyl)imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
PubChem CID157179165
Molecular FormulaC99H112F8N22O11
Molecular Weight1938.11 g/mol
Exact Mass1936.88
IUPAC Name2-amino-5-[2-(dimethylamino)-4-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[5-(dimethylamino)-3-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxy-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-propan-2-yl-4-pyridinyl)imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
SMILESCOc1cc(C2(c3ccc(OC(C)F)c(C)c3)N=C(N)N(C)C2=O)ccn1.Cc1cc(C2(c3ccnc(C(C)C)c3)N=C(N)N(C)C2=O)ccc1OC(C)F.Cc1cc(C2(c3ccnc(C(F)(F)F)c3)N=C(N)N(C)C2=O)ccc1OC(C)F.Cc1cc(C2(c3ccnc(N(C)C)c3)N=C(N)N(C)C2=O)ccc1OC(C)F.Cc1cc(C2(c3cncc(N(C)C)c3)N=C(N)N(C)C2=O)ccc1OC(C)F
InChIInChI=1S/C21H25FN4O2.2C20H24FN5O2.C19H18F4N4O2.C19H21FN4O3/c1-12(2)17-11-16(8-9-24-17)21(19(27)26(5)20(23)25-21)15-6-7-18(13(3)10-15)28-14(4)22;1-12-8-14(6-7-17(12)28-13(2)21)20(18(27)26(5)19(22)24-20)15-9-16(25(3)4)11-23-10-15;1-12-10-14(6-7-16(12)28-13(2)21)20(18(27)26(5)19(22)24-20)15-8-9-23-17(11-15)25(3)4;1-10-8-12(4-5-14(10)29-11(2)20)18(16(28)27(3)17(24)26-18)13-6-7-25-15(9-13)19(21,22)23;1-11-9-13(5-6-15(11)27-12(2)20)19(17(25)24(3)18(21)23-19)14-7-8-22-16(10-14)26-4/h6-12,14H,1-5H3,(H2,23,25);2*6-11,13H,1-5H3,(H2,22,24);4-9,11H,1-3H3,(H2,24,26);5-10,12H,1-4H3,(H2,21,23)
InChIKeyAOJGKDGMEYHPAL-UHFFFAOYSA-N
XLogP12.86
TPSA419.76 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001938.11
LogP ≤ 512.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 2-amino-5-[2-(dimethylamino)-4-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[5-(dimethylamino)-3-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxy-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-propan-2-yl-4-pyridinyl)imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-Amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
CID 137394608
(4aS,9R,9aR)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-3'-methyl-7-pyrimidin-5-ylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(5-chloro-3-pyridinyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-3'-methyl-7-pyrimidin-5-ylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one
CID 159458326
(E)-1-(4-amino-3-fluorophenyl)-5-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-3-methyl-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;(E)-5-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-pyridin-3-yl-1-benzofuran-2-yl]-1-pyridin-3-ylpent-1-en-3-one;(E)-5-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-pyridin-4-yl-1-benzofuran-2-yl]-1-pyridin-3-ylpent-1-en-3-one
CID 159517319
CID 161228017
CID 161228017
2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 157279592
N-[3-benzyl-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide;N-[3-benzyl-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide;N-[3-benzyl-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-ethoxyphenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]-2-(4-propan-2-yloxyphenyl)acetamide
CID 157349015
2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 157364428
2-Amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(2-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(5-fluoro-3-pyridinyl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyrazin-2-ylphenyl)-3-methylimidazol-4-one;2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one;5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]pyridine-3-carbonitrile
CID 157590147
2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(6-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(6-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(6-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 157592327
[3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-cyclopropylmethanone;1-[3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]ethanone;1-[3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]pentan-1-one;1-[3-[6-(2-aminopyrimidin-4-yl)-4-fluoro-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-3-phenylpropan-1-one;1-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-3-methylbutan-1-one;1-[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-2-phenylethanone;1-[3-[6-(2-aminopyrimidin-4-yl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-3,4-dihydro-2H-chromen-6-yl]ethanone
CID 157595769
1-[5-(4-Ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;bis(1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]butan-2-one);bis(1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluoro-5-piperidin-1-ylphenyl)butan-2-one)
CID 157663299
2-Amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(2-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-phenylphenyl)-3-methylimidazol-4-one;2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-4-ylphenyl)-3-methylimidazol-4-one;2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridin-2-ylphenyl)-3-methylimidazol-4-one;3-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-methoxyphenyl]benzonitrile
CID 158335655

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(dimethylamino)-4-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[5-(dimethylamino)-3-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxy-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-propan-2-yl-4-pyridinyl)imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
The IUPAC name of 2-amino-5-[2-(dimethylamino)-4-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[5-(dimethylamino)-3-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxy-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-propan-2-yl-4-pyridinyl)imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one (CID 157179165) is 2-amino-5-[2-(dimethylamino)-4-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[5-(dimethylamino)-3-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxy-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-propan-2-yl-4-pyridinyl)imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-[2-(dimethylamino)-4-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[5-(dimethylamino)-3-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxy-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-propan-2-yl-4-pyridinyl)imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-[2-(dimethylamino)-4-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[5-(dimethylamino)-3-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxy-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-propan-2-yl-4-pyridinyl)imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one is COc1cc(C2(c3ccc(OC(C)F)c(C)c3)N=C(N)N(C)C2=O)ccn1.Cc1cc(C2(c3ccnc(C(C)C)c3)N=C(N)N(C)C2=O)ccc1OC(C)F.Cc1cc(C2(c3ccnc(C(F)(F)F)c3)N=C(N)N(C)C2=O)ccc1OC(C)F.Cc1cc(C2(c3ccnc(N(C)C)c3)N=C(N)N(C)C2=O)ccc1OC(C)F.Cc1cc(C2(c3cncc(N(C)C)c3)N=C(N)N(C)C2=O)ccc1OC(C)F.
What is the InChIKey of 2-amino-5-[2-(dimethylamino)-4-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[5-(dimethylamino)-3-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxy-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-propan-2-yl-4-pyridinyl)imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
The InChIKey is AOJGKDGMEYHPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2.2C20H24FN5O2.C19H18F4N4O2.C19H21FN4O3/c1-12(2)17-11-16(8-9-24-17)21(19(27)26(5)20(23)25-21)15-6-7-18(13(3)10-15)28-14(4)22;1-12-8-14(6-7-17(12)28-13(2)21)20(18(27)26(5)19(22)24-20)15-9-16(25(3)4)11-23-10-15;1-12-10-14(6-7-16(12)28-13(2)21)20(18(27)26(5)19(22)24-20)15-8-9-23-17(11-15)25(3)4;1-10-8-12(4-5-14(10)29-11(2)20)18(16(28)27(3)17(24)26-18)13-6-7-25-15(9-13)19(21,22)23;1-11-9-13(5-6-15(11)27-12(2)20)19(17(25)24(3)18(21)23-19)14-7-8-22-16(10-14)26-4/h6-12,14H,1-5H3,(H2,23,25);2*6-11,13H,1-5H3,(H2,22,24);4-9,11H,1-3H3,(H2,24,26);5-10,12H,1-4H3,(H2,21,23).
What are the key properties of 2-amino-5-[2-(dimethylamino)-4-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[5-(dimethylamino)-3-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxy-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-propan-2-yl-4-pyridinyl)imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
2-amino-5-[2-(dimethylamino)-4-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[5-(dimethylamino)-3-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxy-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-propan-2-yl-4-pyridinyl)imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one has a molecular weight of 1938.11 g/mol, XLogP of 12.86, 24 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(dimethylamino)-4-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[5-(dimethylamino)-3-pyridinyl]-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxy-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-propan-2-yl-4-pyridinyl)imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one is sourced from PubChem (CID 157179165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).