3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate

C226H206F22N24O18 — CID 167606000

IUPAC3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate
SMILESCC(C)CC(=O)c1ccc(Cc2ccc(C(C)(F)F)cc2)c(-c2ccnc(N)c2)c1.CC(C)CC(=O)c1ccc(Cc2cccc(C(C)(F)F)c2)c(-c2ccnc(N)c2)c1.CC(F)(F)c1ccc(Cc2ccc(C(=O)O)cc2-c2ccnc(N)c2)cc1.CC(F)(F)c1cccc(Cc2ccc(C(=O)O)cc2-c2ccnc(N)c2)c1.CC(F)(F)c1cccc(Cc2ccc(C(=O)O)cc2-c2nnn(Cc3ccccc3F)n2)c1.COC(=O)c1ccc(Cc2ccc(C(C)(F)F)cc2)c(-c2ccnc(N)c2)c1.COC(=O)c1ccc(Cc2ccc(C(C)(F)F)cc2)c(-c2cn(C)cn2)c1.COC(=O)c1ccc(Cc2cccc(C(C)(F)F)c2)c(-c2ccnc(N)c2)c1.COC(=O)c1ccc(Cc2cccc(C(C)(F)F)c2)c(-c2nnn(Cc3ccccc3F)n2)c1.Cn1cnc(-c2cc(C(=O)O)ccc2Cc2ccc(C(C)(F)F)cc2)c1
InChIInChI=1S/C25H21F3N4O2.2C25H26F2N2O.C24H19F3N4O2.2C22H20F2N2O2.C21H20F2N2O2.2C21H18F2N2O2.C20H18F2N2O2/c1-25(27,28)20-8-5-6-16(13-20)12-17-10-11-18(24(33)34-2)14-21(17)23-29-31-32(30-23)15-19-7-3-4-9-22(19)26;1-16(2)12-23(30)20-7-6-18(22(14-20)19-10-11-29-24(28)15-19)13-17-4-8-21(9-5-17)25(3,26)27;1-16(2)11-23(30)20-8-7-18(22(14-20)19-9-10-29-24(28)15-19)12-17-5-4-6-21(13-17)25(3,26)27;1-24(26,27)19-7-4-5-15(12-19)11-16-9-10-17(23(32)33)13-20(16)22-28-30-31(29-22)14-18-6-2-3-8-21(18)25;1-22(23,24)18-7-3-14(4-8-18)11-15-5-6-17(21(27)28-2)12-19(15)16-9-10-26-20(25)13-16;1-22(23,24)18-5-3-4-14(11-18)10-15-6-7-17(21(27)28-2)12-19(15)16-8-9-26-20(25)13-16;1-21(22,23)17-8-4-14(5-9-17)10-15-6-7-16(20(26)27-3)11-18(15)19-12-25(2)13-24-19;1-21(22,23)17-6-2-13(3-7-17)10-14-4-5-16(20(26)27)11-18(14)15-8-9-25-19(24)12-15;1-21(22,23)17-4-2-3-13(10-17)9-14-5-6-16(20(26)27)11-18(14)15-7-8-25-19(24)12-15;1-20(21,22)16-7-3-13(4-8-16)9-14-5-6-15(19(25)26)10-17(14)18-11-24(2)12-23-18/h3-11,13-14H,12,15H2,1-2H3;4-11,14-16H,12-13H2,1-3H3,(H2,28,29);4-10,13-16H,11-12H2,1-3H3,(H2,28,29);2-10,12-13H,11,14H2,1H3,(H,32,33);3-10,12-13H,11H2,1-2H3,(H2,25,26);3-9,11-13H,10H2,1-2H3,(H2,25,26);4-9,11-13H,10H2,1-3H3;2-9,11-12H,10H2,1H3,(H2,24,25)(H,26,27);2-8,10-12H,9H2,1H3,(H2,24,25)(H,26,27);3-8,10-12H,9H2,1-2H3,(H,25,26)
InChIKeyKJULLTKIWAEYHO-UHFFFAOYSA-N
MW3964.24 g/mol
LogP50.64
Rot. Bonds58

About 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate

3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate (PubChem CID 167606000) has the molecular formula C226H206F22N24O18 and a molecular weight of 3964.24 g/mol. Its IUPAC name is 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate.

Molecular Properties

Compound Name3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate
PubChem CID167606000
Molecular FormulaC226H206F22N24O18
Molecular Weight3964.24 g/mol
Exact Mass3961.56
IUPAC Name3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate
SMILESCC(C)CC(=O)c1ccc(Cc2ccc(C(C)(F)F)cc2)c(-c2ccnc(N)c2)c1.CC(C)CC(=O)c1ccc(Cc2cccc(C(C)(F)F)c2)c(-c2ccnc(N)c2)c1.CC(F)(F)c1ccc(Cc2ccc(C(=O)O)cc2-c2ccnc(N)c2)cc1.CC(F)(F)c1cccc(Cc2ccc(C(=O)O)cc2-c2ccnc(N)c2)c1.CC(F)(F)c1cccc(Cc2ccc(C(=O)O)cc2-c2nnn(Cc3ccccc3F)n2)c1.COC(=O)c1ccc(Cc2ccc(C(C)(F)F)cc2)c(-c2ccnc(N)c2)c1.COC(=O)c1ccc(Cc2ccc(C(C)(F)F)cc2)c(-c2cn(C)cn2)c1.COC(=O)c1ccc(Cc2cccc(C(C)(F)F)c2)c(-c2ccnc(N)c2)c1.COC(=O)c1ccc(Cc2cccc(C(C)(F)F)c2)c(-c2nnn(Cc3ccccc3F)n2)c1.Cn1cnc(-c2cc(C(=O)O)ccc2Cc2ccc(C(C)(F)F)cc2)c1
InChIInChI=1S/C25H21F3N4O2.2C25H26F2N2O.C24H19F3N4O2.2C22H20F2N2O2.C21H20F2N2O2.2C21H18F2N2O2.C20H18F2N2O2/c1-25(27,28)20-8-5-6-16(13-20)12-17-10-11-18(24(33)34-2)14-21(17)23-29-31-32(30-23)15-19-7-3-4-9-22(19)26;1-16(2)12-23(30)20-7-6-18(22(14-20)19-10-11-29-24(28)15-19)13-17-4-8-21(9-5-17)25(3,26)27;1-16(2)11-23(30)20-8-7-18(22(14-20)19-9-10-29-24(28)15-19)12-17-5-4-6-21(13-17)25(3,26)27;1-24(26,27)19-7-4-5-15(12-19)11-16-9-10-17(23(32)33)13-20(16)22-28-30-31(29-22)14-18-6-2-3-8-21(18)25;1-22(23,24)18-7-3-14(4-8-18)11-15-5-6-17(21(27)28-2)12-19(15)16-9-10-26-20(25)13-16;1-22(23,24)18-5-3-4-14(11-18)10-15-6-7-17(21(27)28-2)12-19(15)16-8-9-26-20(25)13-16;1-21(22,23)17-8-4-14(5-9-17)10-15-6-7-16(20(26)27-3)11-18(15)19-12-25(2)13-24-19;1-21(22,23)17-6-2-13(3-7-17)10-14-4-5-16(20(26)27)11-18(14)15-8-9-25-19(24)12-15;1-21(22,23)17-4-2-3-13(10-17)9-14-5-6-16(20(26)27)11-18(14)15-7-8-25-19(24)12-15;1-20(21,22)16-7-3-13(4-8-16)9-14-5-6-15(19(25)26)10-17(14)18-11-24(2)12-23-18/h3-11,13-14H,12,15H2,1-2H3;4-11,14-16H,12-13H2,1-3H3,(H2,28,29);4-10,13-16H,11-12H2,1-3H3,(H2,28,29);2-10,12-13H,11,14H2,1H3,(H,32,33);3-10,12-13H,11H2,1-2H3,(H2,25,26);3-9,11-13H,10H2,1-2H3,(H2,25,26);4-9,11-13H,10H2,1-3H3;2-9,11-12H,10H2,1H3,(H2,24,25)(H,26,27);2-8,10-12H,9H2,1H3,(H2,24,25)(H,26,27);3-8,10-12H,9H2,1-2H3,(H,25,26)
InChIKeyKJULLTKIWAEYHO-UHFFFAOYSA-N
XLogP50.64
TPSA644.84 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds58
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003964.24
LogP ≤ 550.64
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate with MolForge

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Related Compounds

Methyl 2-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylate;methyl 2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]pyridine-4-carboxylate;2-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carboxylic acid
CID 138593548
2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;2-[(3S)-3-phenylbutanoyl]benzoic acid
CID 157154000
ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 157212075
(2S,3S)-2,3-dibenzoyloxybutanedioic acid;2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 157779799
(2S,3S)-2,3-dibenzoyloxybutanedioic acid;bis(2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine)
CID 157779800
bis(2-[4-[[4-(3-aminopropyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone);tert-butyl N-[3-[4-[[4-[2-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]carbamate;3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoic acid
CID 157923200
2-(Diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)benzoate;methyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;propan-2-yl 5-ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;propan-2-yl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-4-methylbenzoate
CID 158032382
Methyl 2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoate;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid
CID 158614650
Methyl 2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoate;2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid
CID 158940379
magnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide
CID 158980010
CID 159030115
CID 159030115
1-[3-(2-Imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;methyl 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoate;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
CID 159101145

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate?
The IUPAC name of 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate (CID 167606000) is 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate.
What is the SMILES notation for 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate?
The canonical SMILES for 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate is CC(C)CC(=O)c1ccc(Cc2ccc(C(C)(F)F)cc2)c(-c2ccnc(N)c2)c1.CC(C)CC(=O)c1ccc(Cc2cccc(C(C)(F)F)c2)c(-c2ccnc(N)c2)c1.CC(F)(F)c1ccc(Cc2ccc(C(=O)O)cc2-c2ccnc(N)c2)cc1.CC(F)(F)c1cccc(Cc2ccc(C(=O)O)cc2-c2ccnc(N)c2)c1.CC(F)(F)c1cccc(Cc2ccc(C(=O)O)cc2-c2nnn(Cc3ccccc3F)n2)c1.COC(=O)c1ccc(Cc2ccc(C(C)(F)F)cc2)c(-c2ccnc(N)c2)c1.COC(=O)c1ccc(Cc2ccc(C(C)(F)F)cc2)c(-c2cn(C)cn2)c1.COC(=O)c1ccc(Cc2cccc(C(C)(F)F)c2)c(-c2ccnc(N)c2)c1.COC(=O)c1ccc(Cc2cccc(C(C)(F)F)c2)c(-c2nnn(Cc3ccccc3F)n2)c1.Cn1cnc(-c2cc(C(=O)O)ccc2Cc2ccc(C(C)(F)F)cc2)c1.
What is the InChIKey of 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate?
The InChIKey is KJULLTKIWAEYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2.2C25H26F2N2O.C24H19F3N4O2.2C22H20F2N2O2.C21H20F2N2O2.2C21H18F2N2O2.C20H18F2N2O2/c1-25(27,28)20-8-5-6-16(13-20)12-17-10-11-18(24(33)34-2)14-21(17)23-29-31-32(30-23)15-19-7-3-4-9-22(19)26;1-16(2)12-23(30)20-7-6-18(22(14-20)19-10-11-29-24(28)15-19)13-17-4-8-21(9-5-17)25(3,26)27;1-16(2)11-23(30)20-8-7-18(22(14-20)19-9-10-29-24(28)15-19)12-17-5-4-6-21(13-17)25(3,26)27;1-24(26,27)19-7-4-5-15(12-19)11-16-9-10-17(23(32)33)13-20(16)22-28-30-31(29-22)14-18-6-2-3-8-21(18)25;1-22(23,24)18-7-3-14(4-8-18)11-15-5-6-17(21(27)28-2)12-19(15)16-9-10-26-20(25)13-16;1-22(23,24)18-5-3-4-14(11-18)10-15-6-7-17(21(27)28-2)12-19(15)16-8-9-26-20(25)13-16;1-21(22,23)17-8-4-14(5-9-17)10-15-6-7-16(20(26)27-3)11-18(15)19-12-25(2)13-24-19;1-21(22,23)17-6-2-13(3-7-17)10-14-4-5-16(20(26)27)11-18(14)15-8-9-25-19(24)12-15;1-21(22,23)17-4-2-3-13(10-17)9-14-5-6-16(20(26)27)11-18(14)15-7-8-25-19(24)12-15;1-20(21,22)16-7-3-13(4-8-16)9-14-5-6-15(19(25)26)10-17(14)18-11-24(2)12-23-18/h3-11,13-14H,12,15H2,1-2H3;4-11,14-16H,12-13H2,1-3H3,(H2,28,29);4-10,13-16H,11-12H2,1-3H3,(H2,28,29);2-10,12-13H,11,14H2,1H3,(H,32,33);3-10,12-13H,11H2,1-2H3,(H2,25,26);3-9,11-13H,10H2,1-2H3,(H2,25,26);4-9,11-13H,10H2,1-3H3;2-9,11-12H,10H2,1H3,(H2,24,25)(H,26,27);2-8,10-12H,9H2,1H3,(H2,24,25)(H,26,27);3-8,10-12H,9H2,1-2H3,(H,25,26).
What are the key properties of 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate?
3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate has a molecular weight of 3964.24 g/mol, XLogP of 50.64, 58 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate is sourced from PubChem (CID 167606000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).