2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide

C189H187F24N49O10 — CID 167621949

IUPAC2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
SMILESCC(F)(F)Cn1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CC(F)(F)F)CC3)cc2)[nH]1.CC(F)(F)Cn1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCNCC3)cc2)[nH]1.CC(F)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)[nH]1.CC1CN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(F)(F)F)[nH]3)cc2)CC(C)N1C.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)C(=O)C1=O.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1=O
InChIInChI=1S/C28H27F6N7O.C28H29F4N7O.C27H24F3N7O3.C27H26F3N7O2.C27H28F3N7O.C26H26F3N7O.C26H27F2N7O/c1-27(30,31)15-41-17-36-23(18-2-4-19(29)5-3-18)24(41)25-35-14-22(38-25)26(42)37-20-6-8-21(9-7-20)40-12-10-39(11-13-40)16-28(32,33)34;1-17-13-38(14-18(2)37(17)3)22-10-8-21(9-11-22)35-27(40)23-12-33-26(36-23)25-24(19-4-6-20(29)7-5-19)34-16-39(25)15-28(30,31)32;1-27(29,30)14-36-15-32-21(16-3-5-17(28)6-4-16)22(36)23-31-13-20(34-23)24(38)33-18-7-9-19(10-8-18)37-12-11-35(2)25(39)26(37)40;1-27(29,30)15-37-16-32-23(17-3-5-18(28)6-4-17)24(37)25-31-13-21(34-25)26(39)33-19-7-9-20(10-8-19)36-12-11-35(2)22(38)14-36;1-27(29,30)16-37-17-32-23(18-3-5-19(28)6-4-18)24(37)25-31-15-22(34-25)26(38)33-20-7-9-21(10-8-20)36-13-11-35(2)12-14-36;1-26(28,29)15-36-16-32-22(17-2-4-18(27)5-3-17)23(36)24-31-14-21(34-24)25(37)33-19-6-8-20(9-7-19)35-12-10-30-11-13-35;1-17(27)35-16-30-23(18-3-5-19(28)6-4-18)24(35)25-29-15-22(32-25)26(36)31-20-7-9-21(10-8-20)34-13-11-33(2)12-14-34/h2-9,14,17H,10-13,15-16H2,1H3,(H,35,38)(H,37,42);4-12,16-18H,13-15H2,1-3H3,(H,33,36)(H,35,40);3-10,13,15H,11-12,14H2,1-2H3,(H,31,34)(H,33,38);3-10,13,16H,11-12,14-15H2,1-2H3,(H,31,34)(H,33,39);3-10,15,17H,11-14,16H2,1-2H3,(H,31,34)(H,33,38);2-9,14,16,30H,10-13,15H2,1H3,(H,31,34)(H,33,37);3-10,15-17H,11-14H2,1-2H3,(H,29,32)(H,31,36)
InChIKeyMOIYPOIYTIYHLX-UHFFFAOYSA-N
MW3760.86 g/mol
LogP32.86
Rot. Bonds48

About 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide

2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide (PubChem CID 167621949) has the molecular formula C189H187F24N49O10 and a molecular weight of 3760.86 g/mol. Its IUPAC name is 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
PubChem CID167621949
Molecular FormulaC189H187F24N49O10
Molecular Weight3760.86 g/mol
Exact Mass3758.52
IUPAC Name2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
SMILESCC(F)(F)Cn1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CC(F)(F)F)CC3)cc2)[nH]1.CC(F)(F)Cn1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCNCC3)cc2)[nH]1.CC(F)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)[nH]1.CC1CN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(F)(F)F)[nH]3)cc2)CC(C)N1C.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)C(=O)C1=O.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1=O
InChIInChI=1S/C28H27F6N7O.C28H29F4N7O.C27H24F3N7O3.C27H26F3N7O2.C27H28F3N7O.C26H26F3N7O.C26H27F2N7O/c1-27(30,31)15-41-17-36-23(18-2-4-19(29)5-3-18)24(41)25-35-14-22(38-25)26(42)37-20-6-8-21(9-7-20)40-12-10-39(11-13-40)16-28(32,33)34;1-17-13-38(14-18(2)37(17)3)22-10-8-21(9-11-22)35-27(40)23-12-33-26(36-23)25-24(19-4-6-20(29)7-5-19)34-16-39(25)15-28(30,31)32;1-27(29,30)14-36-15-32-21(16-3-5-17(28)6-4-16)22(36)23-31-13-20(34-23)24(38)33-18-7-9-19(10-8-18)37-12-11-35(2)25(39)26(37)40;1-27(29,30)15-37-16-32-23(17-3-5-18(28)6-4-17)24(37)25-31-13-21(34-25)26(39)33-19-7-9-20(10-8-19)36-12-11-35(2)22(38)14-36;1-27(29,30)16-37-17-32-23(18-3-5-19(28)6-4-18)24(37)25-31-15-22(34-25)26(38)33-20-7-9-21(10-8-20)36-13-11-35(2)12-14-36;1-26(28,29)15-36-16-32-22(17-2-4-18(27)5-3-17)23(36)24-31-14-21(34-24)25(37)33-19-6-8-20(9-7-19)35-12-10-30-11-13-35;1-17(27)35-16-30-23(18-3-5-19(28)6-4-18)24(35)25-29-15-22(32-25)26(36)31-20-7-9-21(10-8-20)34-13-11-33(2)12-14-34/h2-9,14,17H,10-13,15-16H2,1H3,(H,35,38)(H,37,42);4-12,16-18H,13-15H2,1-3H3,(H,33,36)(H,35,40);3-10,13,15H,11-12,14H2,1-2H3,(H,31,34)(H,33,38);3-10,13,16H,11-12,14-15H2,1-2H3,(H,31,34)(H,33,39);3-10,15,17H,11-14,16H2,1-2H3,(H,31,34)(H,33,38);2-9,14,16,30H,10-13,15H2,1H3,(H,31,34)(H,33,37);3-10,15-17H,11-14H2,1-2H3,(H,29,32)(H,31,36)
InChIKeyMOIYPOIYTIYHLX-UHFFFAOYSA-N
XLogP32.86
TPSA634.56 Ų
H-Bond Donors15
H-Bond Acceptors42
Rotatable Bonds48
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003760.86
LogP ≤ 532.86
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1042

Analyze 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-1H-imidazole-5-carboxamide
CID 164938159
2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide
CID 164938165
2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
CID 164938187
2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
CID 164938191
2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide
CID 164938193
4-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]piperazine-1-carboxamide
CID 164938199
methyl N-[(2S)-1-[(2S)-2-[5-[4-[(2R)-1-[3,5-difluoro-4-(4-phenylpiperidin-1-yl)phenyl]-5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrrolidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58032032
methyl N-[(2S)-1-[(2S)-2-[5-[4-[(5R)-1-[3,5-difluoro-4-(4-phenylpiperidin-1-yl)phenyl]-5-[4-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrrolidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58403879
methyl N-[(2S)-1-[(2S)-2-[5-[4-[(2R,5R)-1-[3,5-difluoro-4-(4-phenylpiperidin-1-yl)phenyl]-5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrrolidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 88869505
methyl N-[(2S)-1-[(2S)-2-[5-[4-[(2S,5S)-1-[3,5-difluoro-4-(4-phenylpiperidin-1-yl)phenyl]-5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrrolidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 129192891
methyl N-[1-[(2S)-2-[5-[4-[(2R,5R)-1-[3,5-difluoro-4-(4-phenylpiperidin-1-yl)phenyl]-5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrrolidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 129196698
[2-[6-[(3aS,7aR)-6-[2-[4-ethenyl-5-(methylideneamino)-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 129235992

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide (CID 167621949) is 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide is CC(F)(F)Cn1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CC(F)(F)F)CC3)cc2)[nH]1.CC(F)(F)Cn1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCNCC3)cc2)[nH]1.CC(F)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)[nH]1.CC1CN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(F)(F)F)[nH]3)cc2)CC(C)N1C.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)C(=O)C1=O.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1=O.
What is the InChIKey of 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?
The InChIKey is MOIYPOIYTIYHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F6N7O.C28H29F4N7O.C27H24F3N7O3.C27H26F3N7O2.C27H28F3N7O.C26H26F3N7O.C26H27F2N7O/c1-27(30,31)15-41-17-36-23(18-2-4-19(29)5-3-18)24(41)25-35-14-22(38-25)26(42)37-20-6-8-21(9-7-20)40-12-10-39(11-13-40)16-28(32,33)34;1-17-13-38(14-18(2)37(17)3)22-10-8-21(9-11-22)35-27(40)23-12-33-26(36-23)25-24(19-4-6-20(29)7-5-19)34-16-39(25)15-28(30,31)32;1-27(29,30)14-36-15-32-21(16-3-5-17(28)6-4-16)22(36)23-31-13-20(34-23)24(38)33-18-7-9-19(10-8-18)37-12-11-35(2)25(39)26(37)40;1-27(29,30)15-37-16-32-23(17-3-5-18(28)6-4-17)24(37)25-31-13-21(34-25)26(39)33-19-7-9-20(10-8-19)36-12-11-35(2)22(38)14-36;1-27(29,30)16-37-17-32-23(18-3-5-19(28)6-4-18)24(37)25-31-15-22(34-25)26(38)33-20-7-9-21(10-8-20)36-13-11-35(2)12-14-36;1-26(28,29)15-36-16-32-22(17-2-4-18(27)5-3-17)23(36)24-31-14-21(34-24)25(37)33-19-6-8-20(9-7-19)35-12-10-30-11-13-35;1-17(27)35-16-30-23(18-3-5-19(28)6-4-18)24(35)25-29-15-22(32-25)26(36)31-20-7-9-21(10-8-20)34-13-11-33(2)12-14-34/h2-9,14,17H,10-13,15-16H2,1H3,(H,35,38)(H,37,42);4-12,16-18H,13-15H2,1-3H3,(H,33,36)(H,35,40);3-10,13,15H,11-12,14H2,1-2H3,(H,31,34)(H,33,38);3-10,13,16H,11-12,14-15H2,1-2H3,(H,31,34)(H,33,39);3-10,15,17H,11-14,16H2,1-2H3,(H,31,34)(H,33,38);2-9,14,16,30H,10-13,15H2,1H3,(H,31,34)(H,33,37);3-10,15-17H,11-14H2,1-2H3,(H,29,32)(H,31,36).
What are the key properties of 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?
2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide has a molecular weight of 3760.86 g/mol, XLogP of 32.86, 48 rotatable bonds, 15 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 167621949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).