tert-butyl (2S,4R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-phenylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C160H141F19N24O13 — CID 161382849

IUPACtert-butyl (2S,4R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-phenylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccnc2-c2ccccc2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(-n3cccn3)ccc2=O)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCC(F)(F)C3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2C[C@H](c3ccccc3)CN2C(=O)OC(C)(C)C)ccc1F.Cc1ccc(-c2cccnc2[C@@H](CC(=O)Cn2[nH]c(=O)c3c2CCCC3)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C37H37F3N4O4.C32H26F3N5O2.C31H25F8N5O2.C30H24F3N7O3.C30H29F2N3O2/c1-37(2,3)48-36(47)44-21-25(23-9-6-5-7-10-23)19-32(44)35(46)43-31(17-22-15-26(38)20-27(39)16-22)33-28(11-8-14-42-33)24-12-13-30(40)29(18-24)34(45)41-4;1-36-32(42)26-17-22(9-10-27(26)35)25-8-5-11-37-30(25)28(16-20-14-23(33)18-24(34)15-20)39-29(41)19-40-13-12-38-31(40)21-6-3-2-4-7-21;1-40-29(46)21-12-17(4-5-23(21)34)20-3-2-8-41-27(20)24(11-16-9-18(32)13-19(33)10-16)42-26(45)15-44-25-6-7-30(35,36)14-22(25)28(43-44)31(37,38)39;1-34-30(43)23-15-19(5-6-24(23)33)22-4-2-9-35-29(22)25(14-18-12-20(31)16-21(32)13-18)37-27(41)17-40-28(42)8-7-26(38-40)39-11-3-10-36-39;1-19-8-10-21(11-9-19)26-6-4-12-33-29(26)22(13-20-14-23(31)17-24(32)15-20)16-25(36)18-35-28-7-3-2-5-27(28)30(37)34-35/h5-16,18,20,25,31-32H,17,19,21H2,1-4H3,(H,41,45)(H,43,46);2-15,17-18,28H,16,19H2,1H3,(H,36,42)(H,39,41);2-5,8-10,12-13,24H,6-7,11,14-15H2,1H3,(H,40,46)(H,42,45);2-13,15-16,25H,14,17H2,1H3,(H,34,43)(H,37,41);4,6,8-12,14-15,17,22H,2-3,5,7,13,16,18H2,1H3,(H,34,37)/t25-,31-,32-;28-;24-;25-;22-/m00001/s1
InChIKeyVRYHELATEXADSN-HQLHXHPPSA-N
MW2969.00 g/mol
LogP27.23
Rot. Bonds42

About tert-butyl (2S,4R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-phenylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

tert-butyl (2S,4R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-phenylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 161382849) has the molecular formula C160H141F19N24O13 and a molecular weight of 2969.00 g/mol. Its IUPAC name is tert-butyl (2S,4R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-phenylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Nametert-butyl (2S,4R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-phenylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
PubChem CID161382849
Molecular FormulaC160H141F19N24O13
Molecular Weight2969.00 g/mol
Exact Mass2967.08
IUPAC Nametert-butyl (2S,4R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-phenylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccnc2-c2ccccc2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(-n3cccn3)ccc2=O)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCC(F)(F)C3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2C[C@H](c3ccccc3)CN2C(=O)OC(C)(C)C)ccc1F.Cc1ccc(-c2cccnc2[C@@H](CC(=O)Cn2[nH]c(=O)c3c2CCCC3)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C37H37F3N4O4.C32H26F3N5O2.C31H25F8N5O2.C30H24F3N7O3.C30H29F2N3O2/c1-37(2,3)48-36(47)44-21-25(23-9-6-5-7-10-23)19-32(44)35(46)43-31(17-22-15-26(38)20-27(39)16-22)33-28(11-8-14-42-33)24-12-13-30(40)29(18-24)34(45)41-4;1-36-32(42)26-17-22(9-10-27(26)35)25-8-5-11-37-30(25)28(16-20-14-23(33)18-24(34)15-20)39-29(41)19-40-13-12-38-31(40)21-6-3-2-4-7-21;1-40-29(46)21-12-17(4-5-23(21)34)20-3-2-8-41-27(20)24(11-16-9-18(32)13-19(33)10-16)42-26(45)15-44-25-6-7-30(35,36)14-22(25)28(43-44)31(37,38)39;1-34-30(43)23-15-19(5-6-24(23)33)22-4-2-9-35-29(22)25(14-18-12-20(31)16-21(32)13-18)37-27(41)17-40-28(42)8-7-26(38-40)39-11-3-10-36-39;1-19-8-10-21(11-9-19)26-6-4-12-33-29(26)22(13-20-14-23(31)17-24(32)15-20)16-25(36)18-35-28-7-3-2-5-27(28)30(37)34-35/h5-16,18,20,25,31-32H,17,19,21H2,1-4H3,(H,41,45)(H,43,46);2-15,17-18,28H,16,19H2,1H3,(H,36,42)(H,39,41);2-5,8-10,12-13,24H,6-7,11,14-15H2,1H3,(H,40,46)(H,42,45);2-13,15-16,25H,14,17H2,1H3,(H,34,43)(H,37,41);4,6,8-12,14-15,17,22H,2-3,5,7,13,16,18H2,1H3,(H,34,37)/t25-,31-,32-;28-;24-;25-;22-/m00001/s1
InChIKeyVRYHELATEXADSN-HQLHXHPPSA-N
XLogP27.23
TPSA470.00 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds42
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002969.00
LogP ≤ 527.23
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze tert-butyl (2S,4R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-phenylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide with MolForge

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Related Compounds

7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90758816
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-isocyano-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90773520
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-isocyano-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91095611
3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide
CID 91231290
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-isocyano-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91467421
7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-isocyano-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91495532
tert-butyl 2-(5-((6-((S)-1-(2-((3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)acetamido)-2-(3,5-difluorophenyl)ethyl)-5-(3-oxoisoindolin-5-yl)pyridin-2-yl)ethynyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 118955184
1-[6-[1-[2-[4-[4-[2-[1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(pyridin-2-ylamino)ethyl]-7-fluoro-3-oxo-1H-isoindol-5-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3,3-difluoropiperidin-4-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 156516054
tert-butyl 3-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylate;tert-butyl 3-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]pyrrolidine-1-carboxylate;(7S)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-methylpyrrol-2-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-propanoylcyclohexyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 157087798
3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(4-tert-butylphenyl)propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2,5-difluorophenyl)propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(4-fluorophenyl)propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-one
CID 157147455
3-[4-[4-Amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(4-tert-butylphenyl)propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2,5-difluorophenyl)propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(4-fluorophenyl)propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-one
CID 157147460
N-[(1S)-1-[3-(3-acetamido-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,7-dihydrocyclopenta[b]pyridin-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157155378

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-phenylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of tert-butyl (2S,4R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-phenylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 161382849) is tert-butyl (2S,4R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-phenylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for tert-butyl (2S,4R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-phenylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for tert-butyl (2S,4R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-phenylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccnc2-c2ccccc2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(-n3cccn3)ccc2=O)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCC(F)(F)C3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2C[C@H](c3ccccc3)CN2C(=O)OC(C)(C)C)ccc1F.Cc1ccc(-c2cccnc2[C@@H](CC(=O)Cn2[nH]c(=O)c3c2CCCC3)Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of tert-butyl (2S,4R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-phenylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The InChIKey is VRYHELATEXADSN-HQLHXHPPSA-N. The full InChI is InChI=1S/C37H37F3N4O4.C32H26F3N5O2.C31H25F8N5O2.C30H24F3N7O3.C30H29F2N3O2/c1-37(2,3)48-36(47)44-21-25(23-9-6-5-7-10-23)19-32(44)35(46)43-31(17-22-15-26(38)20-27(39)16-22)33-28(11-8-14-42-33)24-12-13-30(40)29(18-24)34(45)41-4;1-36-32(42)26-17-22(9-10-27(26)35)25-8-5-11-37-30(25)28(16-20-14-23(33)18-24(34)15-20)39-29(41)19-40-13-12-38-31(40)21-6-3-2-4-7-21;1-40-29(46)21-12-17(4-5-23(21)34)20-3-2-8-41-27(20)24(11-16-9-18(32)13-19(33)10-16)42-26(45)15-44-25-6-7-30(35,36)14-22(25)28(43-44)31(37,38)39;1-34-30(43)23-15-19(5-6-24(23)33)22-4-2-9-35-29(22)25(14-18-12-20(31)16-21(32)13-18)37-27(41)17-40-28(42)8-7-26(38-40)39-11-3-10-36-39;1-19-8-10-21(11-9-19)26-6-4-12-33-29(26)22(13-20-14-23(31)17-24(32)15-20)16-25(36)18-35-28-7-3-2-5-27(28)30(37)34-35/h5-16,18,20,25,31-32H,17,19,21H2,1-4H3,(H,41,45)(H,43,46);2-15,17-18,28H,16,19H2,1H3,(H,36,42)(H,39,41);2-5,8-10,12-13,24H,6-7,11,14-15H2,1H3,(H,40,46)(H,42,45);2-13,15-16,25H,14,17H2,1H3,(H,34,43)(H,37,41);4,6,8-12,14-15,17,22H,2-3,5,7,13,16,18H2,1H3,(H,34,37)/t25-,31-,32-;28-;24-;25-;22-/m00001/s1.
What are the key properties of tert-butyl (2S,4R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-phenylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
tert-butyl (2S,4R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-phenylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 2969.00 g/mol, XLogP of 27.23, 42 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-phenylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 161382849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).