2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[4,5-bis(2,5-dimethylthiophen-3-yl)-3H-pyrrol-2-yl]pyridine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine

C240H191Cl3F4N40O14S2 — CID 159080080

IUPAC2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[4,5-bis(2,5-dimethylthiophen-3-yl)-3H-pyrrol-2-yl]pyridine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine
SMILESCCn1c(-c2cccnc2)nc(-c2ccncc2)c1-c1ccc(Cl)cc1.CCn1c(-c2ccnc3ccccc23)nc(-c2ccncc2)c1-c1ccc(Cl)cc1.COc1ccc(C2=C(C(N)=O)N=C(c3cccnc3)C2)cc1.COc1ccc(C2=C(C(N)=O)N=C(c3ccncc3)C2)cc1.COc1ccc(C2=C(c3ccccc3)N=C(c3ccncc3)C2)cc1OC.Cc1cc(C2=C(c3cc(C)sc3C)N=C(c3cccnc3)C2)c(C)s1.Cc1ccc(C2=NC(CO)=C(c3cccnc3)C2)cn1.Fc1ccc(C2=C(c3ccncc3)N=C(c3cccnc3)C2)cc1.Nc1nccc(C2=C(c3cccc(C(F)(F)F)c3)CC(c3ccncc3)=N2)n1.Oc1cc(C2=C(c3ccncc3)N=C(c3cccnc3)C2)ccc1Cl.Oc1ccccc1-c1nc(-c2cnccn2)[nH]c1-c1ccccc1O.c1cnc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccc4c(c3)OCO4)[nH]2)cn1
InChIInChI=1S/C25H19ClN4.C23H20N2O2.C21H17ClN4.C21H14N4O4.C21H20N2S2.C20H14ClN3O.C20H14F3N5.C20H14FN3.C19H14N4O2.2C17H15N3O2.C16H15N3O/c1-2-30-24(18-7-9-19(26)10-8-18)23(17-11-14-27-15-12-17)29-25(30)21-13-16-28-22-6-4-3-5-20(21)22;1-26-21-9-8-18(14-22(21)27-2)19-15-20(16-10-12-24-13-11-16)25-23(19)17-6-4-3-5-7-17;1-2-26-20(16-5-7-18(22)8-6-16)19(15-9-12-23-13-10-15)25-21(26)17-4-3-11-24-14-17;1-3-15-17(28-10-26-15)7-12(1)19-20(13-2-4-16-18(8-13)29-11-27-16)25-21(24-19)14-9-22-5-6-23-14;1-12-8-17(14(3)24-12)19-10-20(16-6-5-7-22-11-16)23-21(19)18-9-13(2)25-15(18)4;21-17-4-3-14(10-19(17)25)16-11-18(15-2-1-7-23-12-15)24-20(16)13-5-8-22-9-6-13;21-20(22,23)14-3-1-2-13(10-14)15-11-17(12-4-7-25-8-5-12)27-18(15)16-6-9-26-19(24)28-16;21-17-5-3-14(4-6-17)18-12-19(16-2-1-9-23-13-16)24-20(18)15-7-10-22-11-8-15;24-15-7-3-1-5-12(15)17-18(13-6-2-4-8-16(13)25)23-19(22-17)14-11-20-9-10-21-14;1-22-13-4-2-11(3-5-13)14-10-15(20-16(14)17(18)21)12-6-8-19-9-7-12;1-22-13-6-4-11(5-7-13)14-9-15(20-16(14)17(18)21)12-3-2-8-19-10-12;1-11-4-5-13(9-18-11)15-7-14(16(10-20)19-15)12-3-2-6-17-8-12/h3-16H,2H2,1H3;3-14H,15H2,1-2H3;3-14H,2H2,1H3;1-9H,10-11H2,(H,24,25);5-9,11H,10H2,1-4H3;1-10,12,25H,11H2;1-10H,11H2,(H2,24,26,28);1-11,13H,12H2;1-11,24-25H,(H,22,23);2-9H,10H2,1H3,(H2,18,21);2-8,10H,9H2,1H3,(H2,18,21);2-6,8-9,20H,7,10H2,1H3
InChIKeyKATAHCWIMWTTJA-UHFFFAOYSA-N
MW4105.92 g/mol
LogP50.13
Rot. Bonds42

About 2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[4,5-bis(2,5-dimethylthiophen-3-yl)-3H-pyrrol-2-yl]pyridine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine

2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[4,5-bis(2,5-dimethylthiophen-3-yl)-3H-pyrrol-2-yl]pyridine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine (PubChem CID 159080080) has the molecular formula C240H191Cl3F4N40O14S2 and a molecular weight of 4105.92 g/mol. Its IUPAC name is 2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[4,5-bis(2,5-dimethylthiophen-3-yl)-3H-pyrrol-2-yl]pyridine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[4,5-bis(2,5-dimethylthiophen-3-yl)-3H-pyrrol-2-yl]pyridine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine
PubChem CID159080080
Molecular FormulaC240H191Cl3F4N40O14S2
Molecular Weight4105.92 g/mol
Exact Mass4101.39
IUPAC Name2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[4,5-bis(2,5-dimethylthiophen-3-yl)-3H-pyrrol-2-yl]pyridine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine
SMILESCCn1c(-c2cccnc2)nc(-c2ccncc2)c1-c1ccc(Cl)cc1.CCn1c(-c2ccnc3ccccc23)nc(-c2ccncc2)c1-c1ccc(Cl)cc1.COc1ccc(C2=C(C(N)=O)N=C(c3cccnc3)C2)cc1.COc1ccc(C2=C(C(N)=O)N=C(c3ccncc3)C2)cc1.COc1ccc(C2=C(c3ccccc3)N=C(c3ccncc3)C2)cc1OC.Cc1cc(C2=C(c3cc(C)sc3C)N=C(c3cccnc3)C2)c(C)s1.Cc1ccc(C2=NC(CO)=C(c3cccnc3)C2)cn1.Fc1ccc(C2=C(c3ccncc3)N=C(c3cccnc3)C2)cc1.Nc1nccc(C2=C(c3cccc(C(F)(F)F)c3)CC(c3ccncc3)=N2)n1.Oc1cc(C2=C(c3ccncc3)N=C(c3cccnc3)C2)ccc1Cl.Oc1ccccc1-c1nc(-c2cnccn2)[nH]c1-c1ccccc1O.c1cnc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccc4c(c3)OCO4)[nH]2)cn1
InChIInChI=1S/C25H19ClN4.C23H20N2O2.C21H17ClN4.C21H14N4O4.C21H20N2S2.C20H14ClN3O.C20H14F3N5.C20H14FN3.C19H14N4O2.2C17H15N3O2.C16H15N3O/c1-2-30-24(18-7-9-19(26)10-8-18)23(17-11-14-27-15-12-17)29-25(30)21-13-16-28-22-6-4-3-5-20(21)22;1-26-21-9-8-18(14-22(21)27-2)19-15-20(16-10-12-24-13-11-16)25-23(19)17-6-4-3-5-7-17;1-2-26-20(16-5-7-18(22)8-6-16)19(15-9-12-23-13-10-15)25-21(26)17-4-3-11-24-14-17;1-3-15-17(28-10-26-15)7-12(1)19-20(13-2-4-16-18(8-13)29-11-27-16)25-21(24-19)14-9-22-5-6-23-14;1-12-8-17(14(3)24-12)19-10-20(16-6-5-7-22-11-16)23-21(19)18-9-13(2)25-15(18)4;21-17-4-3-14(10-19(17)25)16-11-18(15-2-1-7-23-12-15)24-20(16)13-5-8-22-9-6-13;21-20(22,23)14-3-1-2-13(10-14)15-11-17(12-4-7-25-8-5-12)27-18(15)16-6-9-26-19(24)28-16;21-17-5-3-14(4-6-17)18-12-19(16-2-1-9-23-13-16)24-20(18)15-7-10-22-11-8-15;24-15-7-3-1-5-12(15)17-18(13-6-2-4-8-16(13)25)23-19(22-17)14-11-20-9-10-21-14;1-22-13-4-2-11(3-5-13)14-10-15(20-16(14)17(18)21)12-6-8-19-9-7-12;1-22-13-6-4-11(5-7-13)14-9-15(20-16(14)17(18)21)12-3-2-8-19-10-12;1-11-4-5-13(9-18-11)15-7-14(16(10-20)19-15)12-3-2-6-17-8-12/h3-16H,2H2,1H3;3-14H,15H2,1-2H3;3-14H,2H2,1H3;1-9H,10-11H2,(H,24,25);5-9,11H,10H2,1-4H3;1-10,12,25H,11H2;1-10H,11H2,(H2,24,26,28);1-11,13H,12H2;1-11,24-25H,(H,22,23);2-9H,10H2,1H3,(H2,18,21);2-8,10H,9H2,1H3,(H2,18,21);2-6,8-9,20H,7,10H2,1H3
InChIKeyKATAHCWIMWTTJA-UHFFFAOYSA-N
XLogP50.13
TPSA729.53 Ų
H-Bond Donors9
H-Bond Acceptors52
Rotatable Bonds42
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004105.92
LogP ≤ 550.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1052

Analyze 2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[4,5-bis(2,5-dimethylthiophen-3-yl)-3H-pyrrol-2-yl]pyridine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine with MolForge

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Related Compounds

2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxylic acid;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine
CID 157106050
CID 157829731
CID 157829731
3-[[4-(1,3-benzodioxol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-[[4-(1-benzothiophen-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-[[4-(4-chlorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-[[4-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 159429440
CID 161573561
CID 161573561

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[4,5-bis(2,5-dimethylthiophen-3-yl)-3H-pyrrol-2-yl]pyridine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine?
The IUPAC name of 2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[4,5-bis(2,5-dimethylthiophen-3-yl)-3H-pyrrol-2-yl]pyridine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine (CID 159080080) is 2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[4,5-bis(2,5-dimethylthiophen-3-yl)-3H-pyrrol-2-yl]pyridine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[4,5-bis(2,5-dimethylthiophen-3-yl)-3H-pyrrol-2-yl]pyridine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[4,5-bis(2,5-dimethylthiophen-3-yl)-3H-pyrrol-2-yl]pyridine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine is CCn1c(-c2cccnc2)nc(-c2ccncc2)c1-c1ccc(Cl)cc1.CCn1c(-c2ccnc3ccccc23)nc(-c2ccncc2)c1-c1ccc(Cl)cc1.COc1ccc(C2=C(C(N)=O)N=C(c3cccnc3)C2)cc1.COc1ccc(C2=C(C(N)=O)N=C(c3ccncc3)C2)cc1.COc1ccc(C2=C(c3ccccc3)N=C(c3ccncc3)C2)cc1OC.Cc1cc(C2=C(c3cc(C)sc3C)N=C(c3cccnc3)C2)c(C)s1.Cc1ccc(C2=NC(CO)=C(c3cccnc3)C2)cn1.Fc1ccc(C2=C(c3ccncc3)N=C(c3cccnc3)C2)cc1.Nc1nccc(C2=C(c3cccc(C(F)(F)F)c3)CC(c3ccncc3)=N2)n1.Oc1cc(C2=C(c3ccncc3)N=C(c3cccnc3)C2)ccc1Cl.Oc1ccccc1-c1nc(-c2cnccn2)[nH]c1-c1ccccc1O.c1cnc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccc4c(c3)OCO4)[nH]2)cn1.
What is the InChIKey of 2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[4,5-bis(2,5-dimethylthiophen-3-yl)-3H-pyrrol-2-yl]pyridine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine?
The InChIKey is KATAHCWIMWTTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4.C23H20N2O2.C21H17ClN4.C21H14N4O4.C21H20N2S2.C20H14ClN3O.C20H14F3N5.C20H14FN3.C19H14N4O2.2C17H15N3O2.C16H15N3O/c1-2-30-24(18-7-9-19(26)10-8-18)23(17-11-14-27-15-12-17)29-25(30)21-13-16-28-22-6-4-3-5-20(21)22;1-26-21-9-8-18(14-22(21)27-2)19-15-20(16-10-12-24-13-11-16)25-23(19)17-6-4-3-5-7-17;1-2-26-20(16-5-7-18(22)8-6-16)19(15-9-12-23-13-10-15)25-21(26)17-4-3-11-24-14-17;1-3-15-17(28-10-26-15)7-12(1)19-20(13-2-4-16-18(8-13)29-11-27-16)25-21(24-19)14-9-22-5-6-23-14;1-12-8-17(14(3)24-12)19-10-20(16-6-5-7-22-11-16)23-21(19)18-9-13(2)25-15(18)4;21-17-4-3-14(10-19(17)25)16-11-18(15-2-1-7-23-12-15)24-20(16)13-5-8-22-9-6-13;21-20(22,23)14-3-1-2-13(10-14)15-11-17(12-4-7-25-8-5-12)27-18(15)16-6-9-26-19(24)28-16;21-17-5-3-14(4-6-17)18-12-19(16-2-1-9-23-13-16)24-20(18)15-7-10-22-11-8-15;24-15-7-3-1-5-12(15)17-18(13-6-2-4-8-16(13)25)23-19(22-17)14-11-20-9-10-21-14;1-22-13-4-2-11(3-5-13)14-10-15(20-16(14)17(18)21)12-6-8-19-9-7-12;1-22-13-6-4-11(5-7-13)14-9-15(20-16(14)17(18)21)12-3-2-8-19-10-12;1-11-4-5-13(9-18-11)15-7-14(16(10-20)19-15)12-3-2-6-17-8-12/h3-16H,2H2,1H3;3-14H,15H2,1-2H3;3-14H,2H2,1H3;1-9H,10-11H2,(H,24,25);5-9,11H,10H2,1-4H3;1-10,12,25H,11H2;1-10H,11H2,(H2,24,26,28);1-11,13H,12H2;1-11,24-25H,(H,22,23);2-9H,10H2,1H3,(H2,18,21);2-8,10H,9H2,1H3,(H2,18,21);2-6,8-9,20H,7,10H2,1H3.
What are the key properties of 2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[4,5-bis(2,5-dimethylthiophen-3-yl)-3H-pyrrol-2-yl]pyridine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine?
2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[4,5-bis(2,5-dimethylthiophen-3-yl)-3H-pyrrol-2-yl]pyridine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine has a molecular weight of 4105.92 g/mol, XLogP of 50.13, 42 rotatable bonds, 9 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pyrazine;3-[4,5-bis(2,5-dimethylthiophen-3-yl)-3H-pyrrol-2-yl]pyridine;3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine;4-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]quinoline;2-chloro-5-(2-pyridin-3-yl-5-pyridin-4-yl-3H-pyrrol-4-yl)phenol;4-[4-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrrol-2-yl]pyridine;3-[4-(4-fluorophenyl)-5-pyridin-4-yl-3H-pyrrol-2-yl]pyridine;2-[4-(2-hydroxyphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]phenol;4-(4-methoxyphenyl)-2-pyridin-3-yl-3H-pyrrole-5-carboxamide;4-(4-methoxyphenyl)-2-pyridin-4-yl-3H-pyrrole-5-carboxamide;[2-(6-methyl-3-pyridinyl)-4-pyridin-3-yl-3H-pyrrol-5-yl]methanol;4-[2-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-3H-pyrrol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 159080080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).