2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(furan-3-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-(2-fluoropyrimidin-5-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one

C205H185F12N51O24S3 — CID 160965599

IUPAC2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(furan-3-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-(2-fluoropyrimidin-5-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one
SMILESCOc1cc(-c2ccn[nH]2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2ccoc2)cc(C2(c3ccnc(C(F)F)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2ccon2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2ccsc2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cnc(C)nc2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cnc(F)nc2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cnco2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cncs2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cocn2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cscn2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C22H21FN6O2.C21H18F2N6O2.C21H18F2N4O3.C21H19FN4O2S.C20H19FN6O2.3C20H18FN5O3.2C20H18FN5O2S/c1-13-26-11-15(12-27-13)14-6-17(9-19(7-14)31-3)22(20(30)29(2)21(24)28-22)16-4-5-25-18(8-16)10-23;1-29-18(30)21(28-20(29)24,14-3-4-25-16(7-14)9-22)15-5-12(6-17(8-15)31-2)13-10-26-19(23)27-11-13;1-27-19(28)21(26-20(27)24,14-3-5-25-17(10-14)18(22)23)15-7-13(8-16(9-15)29-2)12-4-6-30-11-12;1-26-19(27)21(25-20(26)23,15-3-5-24-17(9-15)11-22)16-7-14(8-18(10-16)28-2)13-4-6-29-12-13;1-27-18(28)20(25-19(27)22,13-3-5-23-15(9-13)11-21)14-7-12(8-16(10-14)29-2)17-4-6-24-26-17;1-26-18(27)20(24-19(26)22,13-3-5-23-15(9-13)11-21)14-7-12(8-16(10-14)28-2)17-4-6-29-25-17;1-26-18(27)20(25-19(26)22,13-3-4-24-15(7-13)9-21)14-5-12(6-16(8-14)28-2)17-10-23-11-29-17;1-26-18(27)20(25-19(26)22,13-3-4-23-15(7-13)9-21)14-5-12(6-16(8-14)28-2)17-10-29-11-24-17;1-26-18(27)20(25-19(26)22,13-3-4-24-15(7-13)9-21)14-5-12(6-16(8-14)28-2)17-10-23-11-29-17;1-26-18(27)20(25-19(26)22,13-3-4-23-15(7-13)9-21)14-5-12(6-16(8-14)28-2)17-10-29-11-24-17/h4-9,11-12H,10H2,1-3H3,(H2,24,28);3-8,10-11H,9H2,1-2H3,(H2,24,28);3-11,18H,1-2H3,(H2,24,26);3-10,12H,11H2,1-2H3,(H2,23,25);3-10H,11H2,1-2H3,(H2,22,25)(H,24,26);3-10H,11H2,1-2H3,(H2,22,24);4*3-8,10-11H,9H2,1-2H3,(H2,22,25)
InChIKeySXOSFEJQXRJUNF-UHFFFAOYSA-N
MW4071.24 g/mol
LogP25.32
Rot. Bonds50

About 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(furan-3-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-(2-fluoropyrimidin-5-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one

2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(furan-3-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-(2-fluoropyrimidin-5-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one (PubChem CID 160965599) has the molecular formula C205H185F12N51O24S3 and a molecular weight of 4071.24 g/mol. Its IUPAC name is 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(furan-3-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-(2-fluoropyrimidin-5-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(furan-3-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-(2-fluoropyrimidin-5-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one
PubChem CID160965599
Molecular FormulaC205H185F12N51O24S3
Molecular Weight4071.24 g/mol
Exact Mass4068.38
IUPAC Name2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(furan-3-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-(2-fluoropyrimidin-5-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one
SMILESCOc1cc(-c2ccn[nH]2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2ccoc2)cc(C2(c3ccnc(C(F)F)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2ccon2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2ccsc2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cnc(C)nc2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cnc(F)nc2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cnco2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cncs2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cocn2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cscn2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C22H21FN6O2.C21H18F2N6O2.C21H18F2N4O3.C21H19FN4O2S.C20H19FN6O2.3C20H18FN5O3.2C20H18FN5O2S/c1-13-26-11-15(12-27-13)14-6-17(9-19(7-14)31-3)22(20(30)29(2)21(24)28-22)16-4-5-25-18(8-16)10-23;1-29-18(30)21(28-20(29)24,14-3-4-25-16(7-14)9-22)15-5-12(6-17(8-15)31-2)13-10-26-19(23)27-11-13;1-27-19(28)21(26-20(27)24,14-3-5-25-17(10-14)18(22)23)15-7-13(8-16(9-15)29-2)12-4-6-30-11-12;1-26-19(27)21(25-20(26)23,15-3-5-24-17(9-15)11-22)16-7-14(8-18(10-16)28-2)13-4-6-29-12-13;1-27-18(28)20(25-19(27)22,13-3-5-23-15(9-13)11-21)14-7-12(8-16(10-14)29-2)17-4-6-24-26-17;1-26-18(27)20(24-19(26)22,13-3-5-23-15(9-13)11-21)14-7-12(8-16(10-14)28-2)17-4-6-29-25-17;1-26-18(27)20(25-19(26)22,13-3-4-24-15(7-13)9-21)14-5-12(6-16(8-14)28-2)17-10-23-11-29-17;1-26-18(27)20(25-19(26)22,13-3-4-23-15(7-13)9-21)14-5-12(6-16(8-14)28-2)17-10-29-11-24-17;1-26-18(27)20(25-19(26)22,13-3-4-24-15(7-13)9-21)14-5-12(6-16(8-14)28-2)17-10-23-11-29-17;1-26-18(27)20(25-19(26)22,13-3-4-23-15(7-13)9-21)14-5-12(6-16(8-14)28-2)17-10-29-11-24-17/h4-9,11-12H,10H2,1-3H3,(H2,24,28);3-8,10-11H,9H2,1-2H3,(H2,24,28);3-11,18H,1-2H3,(H2,24,26);3-10,12H,11H2,1-2H3,(H2,23,25);3-10H,11H2,1-2H3,(H2,22,25)(H,24,26);3-10H,11H2,1-2H3,(H2,22,24);4*3-8,10-11H,9H2,1-2H3,(H2,22,25)
InChIKeySXOSFEJQXRJUNF-UHFFFAOYSA-N
XLogP25.32
TPSA1005.35 Ų
H-Bond Donors11
H-Bond Acceptors67
Rotatable Bonds50
Heavy Atoms295
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004071.24
LogP ≤ 525.32
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1067

Analyze 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(furan-3-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-(2-fluoropyrimidin-5-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(furan-3-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-(2-fluoropyrimidin-5-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(furan-3-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-(2-fluoropyrimidin-5-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one (CID 160965599) is 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(furan-3-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-(2-fluoropyrimidin-5-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(furan-3-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-(2-fluoropyrimidin-5-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(furan-3-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-(2-fluoropyrimidin-5-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one is COc1cc(-c2ccn[nH]2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2ccoc2)cc(C2(c3ccnc(C(F)F)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2ccon2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2ccsc2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cnc(C)nc2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cnc(F)nc2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cnco2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cncs2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cocn2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.COc1cc(-c2cscn2)cc(C2(c3ccnc(CF)c3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(furan-3-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-(2-fluoropyrimidin-5-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one?
The InChIKey is SXOSFEJQXRJUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2.C21H18F2N6O2.C21H18F2N4O3.C21H19FN4O2S.C20H19FN6O2.3C20H18FN5O3.2C20H18FN5O2S/c1-13-26-11-15(12-27-13)14-6-17(9-19(7-14)31-3)22(20(30)29(2)21(24)28-22)16-4-5-25-18(8-16)10-23;1-29-18(30)21(28-20(29)24,14-3-4-25-16(7-14)9-22)15-5-12(6-17(8-15)31-2)13-10-26-19(23)27-11-13;1-27-19(28)21(26-20(27)24,14-3-5-25-17(10-14)18(22)23)15-7-13(8-16(9-15)29-2)12-4-6-30-11-12;1-26-19(27)21(25-20(26)23,15-3-5-24-17(9-15)11-22)16-7-14(8-18(10-16)28-2)13-4-6-29-12-13;1-27-18(28)20(25-19(27)22,13-3-5-23-15(9-13)11-21)14-7-12(8-16(10-14)29-2)17-4-6-24-26-17;1-26-18(27)20(24-19(26)22,13-3-5-23-15(9-13)11-21)14-7-12(8-16(10-14)28-2)17-4-6-29-25-17;1-26-18(27)20(25-19(26)22,13-3-4-24-15(7-13)9-21)14-5-12(6-16(8-14)28-2)17-10-23-11-29-17;1-26-18(27)20(25-19(26)22,13-3-4-23-15(7-13)9-21)14-5-12(6-16(8-14)28-2)17-10-29-11-24-17;1-26-18(27)20(25-19(26)22,13-3-4-24-15(7-13)9-21)14-5-12(6-16(8-14)28-2)17-10-23-11-29-17;1-26-18(27)20(25-19(26)22,13-3-4-23-15(7-13)9-21)14-5-12(6-16(8-14)28-2)17-10-29-11-24-17/h4-9,11-12H,10H2,1-3H3,(H2,24,28);3-8,10-11H,9H2,1-2H3,(H2,24,28);3-11,18H,1-2H3,(H2,24,26);3-10,12H,11H2,1-2H3,(H2,23,25);3-10H,11H2,1-2H3,(H2,22,25)(H,24,26);3-10H,11H2,1-2H3,(H2,22,24);4*3-8,10-11H,9H2,1-2H3,(H2,22,25).
What are the key properties of 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(furan-3-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-(2-fluoropyrimidin-5-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one?
2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(furan-3-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-(2-fluoropyrimidin-5-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one has a molecular weight of 4071.24 g/mol, XLogP of 25.32, 50 rotatable bonds, 11 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(furan-3-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-(2-fluoropyrimidin-5-yl)-5-methoxyphenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,2-oxazol-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-oxazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[3-methoxy-5-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 160965599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).