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;ethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate;ethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]phenyl]propanoate;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate

C174H179F8N31O22 — CID 167580996

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;ethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate;ethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]phenyl]propanoate;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate
SMILESCC(C)n1cnc(-c2ccc(F)cc2)c1-c1cccc(C(=O)Nc2ccc(CCC(=O)OCOC(=O)OC(C)(C)C)cc2)n1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(CCC(=O)OCOC(=O)OC(C)(C)C)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCNCC3)cc2)[nH]1.CCOC(=O)CCc1ccc(NC(=O)C2=CN=C(c3c(-c4ccc(F)cc4)ncn3C(C)C)C2)cc1.CCOC(=O)CCc1ccc(NC(=O)c2cccc(-c3c(-c4ccc(F)cc4)ncn3C(C)C)n2)cc1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)C(=O)C1=O
InChIInChI=1S/C33H35FN4O6.C31H34FN5O6.C29H29FN4O3.C28H29FN4O3.C27H24F3N7O3.C26H28FN7O/c1-21(2)38-19-35-29(23-12-14-24(34)15-13-23)30(38)26-7-6-8-27(37-26)31(40)36-25-16-9-22(10-17-25)11-18-28(39)42-20-43-32(41)44-33(3,4)5;1-19(2)37-17-34-26(21-9-11-22(32)12-10-21)27(37)28-33-16-24(36-28)29(39)35-23-13-6-20(7-14-23)8-15-25(38)41-18-42-30(40)43-31(3,4)5;1-4-37-26(35)17-10-20-8-15-23(16-9-20)32-29(36)25-7-5-6-24(33-25)28-27(31-18-34(28)19(2)3)21-11-13-22(30)14-12-21;1-4-36-25(34)14-7-19-5-12-23(13-6-19)32-28(35)21-15-24(30-16-21)27-26(31-17-33(27)18(2)3)20-8-10-22(29)11-9-20;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;1-17(2)34-16-30-23(18-3-5-19(27)6-4-18)24(34)25-29-15-22(32-25)26(35)31-20-7-9-21(10-8-20)33-13-11-28-12-14-33/h6-10,12-17,19,21H,11,18,20H2,1-5H3,(H,36,40);6-7,9-14,16-17,19H,8,15,18H2,1-5H3,(H,33,36)(H,35,39);5-9,11-16,18-19H,4,10,17H2,1-3H3,(H,32,36);5-6,8-13,16-18H,4,7,14-15H2,1-3H3,(H,32,35);3-10,13,15H,11-12,14H2,1-2H3,(H,31,34)(H,33,38);3-10,15-17,28H,11-14H2,1-2H3,(H,29,32)(H,31,35)
InChIKeyHEGUYFKLZNGEHJ-UHFFFAOYSA-N
MW3208.52 g/mol
LogP32.94
Rot. Bonds51

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;ethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate;ethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]phenyl]propanoate;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate

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;ethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate;ethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]phenyl]propanoate;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate (PubChem CID 167580996) has the molecular formula C174H179F8N31O22 and a molecular weight of 3208.52 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;ethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate;ethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]phenyl]propanoate;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate.

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;ethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate;ethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]phenyl]propanoate;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate
PubChem CID167580996
Molecular FormulaC174H179F8N31O22
Molecular Weight3208.52 g/mol
Exact Mass3206.37
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;ethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate;ethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]phenyl]propanoate;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate
SMILESCC(C)n1cnc(-c2ccc(F)cc2)c1-c1cccc(C(=O)Nc2ccc(CCC(=O)OCOC(=O)OC(C)(C)C)cc2)n1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(CCC(=O)OCOC(=O)OC(C)(C)C)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCNCC3)cc2)[nH]1.CCOC(=O)CCc1ccc(NC(=O)C2=CN=C(c3c(-c4ccc(F)cc4)ncn3C(C)C)C2)cc1.CCOC(=O)CCc1ccc(NC(=O)c2cccc(-c3c(-c4ccc(F)cc4)ncn3C(C)C)n2)cc1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)C(=O)C1=O
InChIInChI=1S/C33H35FN4O6.C31H34FN5O6.C29H29FN4O3.C28H29FN4O3.C27H24F3N7O3.C26H28FN7O/c1-21(2)38-19-35-29(23-12-14-24(34)15-13-23)30(38)26-7-6-8-27(37-26)31(40)36-25-16-9-22(10-17-25)11-18-28(39)42-20-43-32(41)44-33(3,4)5;1-19(2)37-17-34-26(21-9-11-22(32)12-10-21)27(37)28-33-16-24(36-28)29(39)35-23-13-6-20(7-14-23)8-15-25(38)41-18-42-30(40)43-31(3,4)5;1-4-37-26(35)17-10-20-8-15-23(16-9-20)32-29(36)25-7-5-6-24(33-25)28-27(31-18-34(28)19(2)3)21-11-13-22(30)14-12-21;1-4-36-25(34)14-7-19-5-12-23(13-6-19)32-28(35)21-15-24(30-16-21)27-26(31-17-33(27)18(2)3)20-8-10-22(29)11-9-20;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;1-17(2)34-16-30-23(18-3-5-19(27)6-4-18)24(34)25-29-15-22(32-25)26(35)31-20-7-9-21(10-8-20)33-13-11-28-12-14-33/h6-10,12-17,19,21H,11,18,20H2,1-5H3,(H,36,40);6-7,9-14,16-17,19H,8,15,18H2,1-5H3,(H,33,36)(H,35,39);5-9,11-16,18-19H,4,10,17H2,1-3H3,(H,32,36);5-6,8-13,16-18H,4,7,14-15H2,1-3H3,(H,32,35);3-10,13,15H,11-12,14H2,1-2H3,(H,31,34)(H,33,38);3-10,15-17,28H,11-14H2,1-2H3,(H,29,32)(H,31,35)
InChIKeyHEGUYFKLZNGEHJ-UHFFFAOYSA-N
XLogP32.94
TPSA637.85 Ų
H-Bond Donors10
H-Bond Acceptors42
Rotatable Bonds51
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003208.52
LogP ≤ 532.94
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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;ethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate;ethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]phenyl]propanoate;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate with MolForge

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Related Compounds

methyl N-[(1R)-2-[(2S)-2-[5-[3,5-difluoro-4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-(pyridine-3-carbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]piperidin-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 46244035
methyl N-[2-[2-[5-[3,5-difluoro-4-[4-[2-[1-[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]piperidin-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 75184640
2,6-difluoro-N-[(2S)-1-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-3-oxobutan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-1-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-3-oxobutan-2-yl]-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzamide;2,6-difluoro-N-[(2S)-1-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-3-oxobutan-2-yl]-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate
CID 158206586
N-[(2S)-1-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]benzamide;N-[(2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-(methylamino)-1-oxopropan-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate
CID 158902902
7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(4-fluorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-pyridin-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;benzyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;tert-butyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;1-ethoxycarbonyloxyethyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;propan-2-yl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 159066386
methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,6-dimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1,4,6-trimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate
CID 159724512
N-[4-[6-[(4-acetylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide;tert-butyl 4-[[4-[6-[[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylate;N-[4-[6-(cyclohexylcarbamoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 160450121
(3S)-3-[[(2S)-2-[(2-benzyl-1H-imidazole-5-carbonyl)amino]propanoyl]amino]-4-oxobutanoic acid;(3S)-3-[[(2S)-2-(1H-imidazole-2-carbonylamino)propanoyl]amino]-4-oxobutanoic acid;(3S)-4-oxo-3-[[2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]acetyl]amino]butanoic acid;(3S)-4-oxo-3-[[(2S)-2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoyl]amino]butanoic acid;(3S)-4-oxo-3-[[(2S)-2-[[2-(2-phenylethyl)-1H-imidazole-5-carbonyl]amino]propanoyl]amino]butanoic acid;(3S)-4-oxo-3-[[(2S)-2-(1H-pyrrole-2-carbonylamino)propanoyl]amino]butanoic acid;(3S)-4-oxo-3-[[(2S)-2-[[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carbonyl]amino]propanoyl]amino]butanoic acid
CID 160470223
methyl (2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[5,6-dimethyl-3-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoate
CID 160876491
methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate
CID 162088685
CID 165078715
CID 165078715
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-[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 167545371

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;ethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate;ethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]phenyl]propanoate;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate?
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;ethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate;ethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]phenyl]propanoate;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate (CID 167580996) 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;ethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate;ethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]phenyl]propanoate;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate.
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;ethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate;ethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]phenyl]propanoate;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate?
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;ethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate;ethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]phenyl]propanoate;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate is CC(C)n1cnc(-c2ccc(F)cc2)c1-c1cccc(C(=O)Nc2ccc(CCC(=O)OCOC(=O)OC(C)(C)C)cc2)n1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(CCC(=O)OCOC(=O)OC(C)(C)C)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCNCC3)cc2)[nH]1.CCOC(=O)CCc1ccc(NC(=O)C2=CN=C(c3c(-c4ccc(F)cc4)ncn3C(C)C)C2)cc1.CCOC(=O)CCc1ccc(NC(=O)c2cccc(-c3c(-c4ccc(F)cc4)ncn3C(C)C)n2)cc1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)C(=O)C1=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;ethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate;ethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]phenyl]propanoate;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate?
The InChIKey is HEGUYFKLZNGEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN4O6.C31H34FN5O6.C29H29FN4O3.C28H29FN4O3.C27H24F3N7O3.C26H28FN7O/c1-21(2)38-19-35-29(23-12-14-24(34)15-13-23)30(38)26-7-6-8-27(37-26)31(40)36-25-16-9-22(10-17-25)11-18-28(39)42-20-43-32(41)44-33(3,4)5;1-19(2)37-17-34-26(21-9-11-22(32)12-10-21)27(37)28-33-16-24(36-28)29(39)35-23-13-6-20(7-14-23)8-15-25(38)41-18-42-30(40)43-31(3,4)5;1-4-37-26(35)17-10-20-8-15-23(16-9-20)32-29(36)25-7-5-6-24(33-25)28-27(31-18-34(28)19(2)3)21-11-13-22(30)14-12-21;1-4-36-25(34)14-7-19-5-12-23(13-6-19)32-28(35)21-15-24(30-16-21)27-26(31-17-33(27)18(2)3)20-8-10-22(29)11-9-20;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;1-17(2)34-16-30-23(18-3-5-19(27)6-4-18)24(34)25-29-15-22(32-25)26(35)31-20-7-9-21(10-8-20)33-13-11-28-12-14-33/h6-10,12-17,19,21H,11,18,20H2,1-5H3,(H,36,40);6-7,9-14,16-17,19H,8,15,18H2,1-5H3,(H,33,36)(H,35,39);5-9,11-16,18-19H,4,10,17H2,1-3H3,(H,32,36);5-6,8-13,16-18H,4,7,14-15H2,1-3H3,(H,32,35);3-10,13,15H,11-12,14H2,1-2H3,(H,31,34)(H,33,38);3-10,15-17,28H,11-14H2,1-2H3,(H,29,32)(H,31,35).
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;ethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate;ethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]phenyl]propanoate;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate?
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;ethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate;ethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]phenyl]propanoate;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate has a molecular weight of 3208.52 g/mol, XLogP of 32.94, 51 rotatable bonds, 10 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;ethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate;ethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]phenyl]propanoate;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate;(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[4-[[6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine-2-carbonyl]amino]phenyl]propanoate is sourced from PubChem (CID 167580996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).