tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-6-methyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide

C131H117F12N35O17 — CID 159586621

IUPACtert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-6-methyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide
SMILESCC(C)(C)OC(=O)N1CCC(CCOc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.CCOc1cc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2cc1C(=O)N1CCOCC1.CCOc1cc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2cc1C(=O)O.Cc1cc(CO)c2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.O=C(Nc1cn[nH]c1-c1nc2ccc(OCCC3CCNCC3)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ncncc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C29H32F2N6O4.C24H22F2N6O4.C24H24F2N6O2.C20H15F2N5O4.C19H15F2N5O2.C15H9F2N7O/c1-29(2,3)41-28(39)37-12-9-17(10-13-37)11-14-40-18-7-8-21-22(15-18)34-26(33-21)25-23(16-32-36-25)35-27(38)24-19(30)5-4-6-20(24)31;1-2-36-19-11-17-16(10-13(19)24(34)32-6-8-35-9-7-32)28-22(29-17)21-18(12-27-31-21)30-23(33)20-14(25)4-3-5-15(20)26;25-16-2-1-3-17(26)21(16)24(33)31-20-13-28-32-22(20)23-29-18-5-4-15(12-19(18)30-23)34-11-8-14-6-9-27-10-7-14;1-2-31-15-7-13-12(6-9(15)20(29)30)24-18(25-13)17-14(8-23-27-17)26-19(28)16-10(21)4-3-5-11(16)22;1-9-5-10(8-27)16-13(6-9)23-18(25-16)17-14(7-22-26-17)24-19(28)15-11(20)3-2-4-12(15)21;16-7-2-1-3-8(17)11(7)15(25)22-9-5-20-24-12(9)14-21-10-4-18-6-19-13(10)23-14/h4-8,15-17H,9-14H2,1-3H3,(H,32,36)(H,33,34)(H,35,38);3-5,10-12H,2,6-9H2,1H3,(H,27,31)(H,28,29)(H,30,33);1-5,12-14,27H,6-11H2,(H,28,32)(H,29,30)(H,31,33);3-8H,2H2,1H3,(H,23,27)(H,24,25)(H,26,28)(H,29,30);2-7,27H,8H2,1H3,(H,22,26)(H,23,25)(H,24,28);1-6H,(H,20,24)(H,22,25)(H,18,19,21,23)
InChIKeyMJRWBPVJRGRVKA-UHFFFAOYSA-N
MW2681.58 g/mol
LogP22.64
Rot. Bonds33

About tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-6-methyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide

tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-6-methyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide (PubChem CID 159586621) has the molecular formula C131H117F12N35O17 and a molecular weight of 2681.58 g/mol. Its IUPAC name is tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-6-methyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound Nametert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-6-methyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide
PubChem CID159586621
Molecular FormulaC131H117F12N35O17
Molecular Weight2681.58 g/mol
Exact Mass2679.92
IUPAC Nametert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-6-methyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide
SMILESCC(C)(C)OC(=O)N1CCC(CCOc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.CCOc1cc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2cc1C(=O)N1CCOCC1.CCOc1cc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2cc1C(=O)O.Cc1cc(CO)c2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.O=C(Nc1cn[nH]c1-c1nc2ccc(OCCC3CCNCC3)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ncncc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C29H32F2N6O4.C24H22F2N6O4.C24H24F2N6O2.C20H15F2N5O4.C19H15F2N5O2.C15H9F2N7O/c1-29(2,3)41-28(39)37-12-9-17(10-13-37)11-14-40-18-7-8-21-22(15-18)34-26(33-21)25-23(16-32-36-25)35-27(38)24-19(30)5-4-6-20(24)31;1-2-36-19-11-17-16(10-13(19)24(34)32-6-8-35-9-7-32)28-22(29-17)21-18(12-27-31-21)30-23(33)20-14(25)4-3-5-15(20)26;25-16-2-1-3-17(26)21(16)24(33)31-20-13-28-32-22(20)23-29-18-5-4-15(12-19(18)30-23)34-11-8-14-6-9-27-10-7-14;1-2-31-15-7-13-12(6-9(15)20(29)30)24-18(25-13)17-14(8-23-27-17)26-19(28)16-10(21)4-3-5-11(16)22;1-9-5-10(8-27)16-13(6-9)23-18(25-16)17-14(7-22-26-17)24-19(28)15-11(20)3-2-4-12(15)21;16-7-2-1-3-8(17)11(7)15(25)22-9-5-20-24-12(9)14-21-10-4-18-6-19-13(10)23-14/h4-8,15-17H,9-14H2,1-3H3,(H,32,36)(H,33,34)(H,35,38);3-5,10-12H,2,6-9H2,1H3,(H,27,31)(H,28,29)(H,30,33);1-5,12-14,27H,6-11H2,(H,28,32)(H,29,30)(H,31,33);3-8H,2H2,1H3,(H,23,27)(H,24,25)(H,26,28)(H,29,30);2-7,27H,8H2,1H3,(H,22,26)(H,23,25)(H,24,28);1-6H,(H,20,24)(H,22,25)(H,18,19,21,23)
InChIKeyMJRWBPVJRGRVKA-UHFFFAOYSA-N
XLogP22.64
TPSA710.10 Ų
H-Bond Donors21
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002681.58
LogP ≤ 522.64
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1031

Analyze tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-6-methyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide with MolForge

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Related Compounds

1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 157158634
methyl 2-[[2-fluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indazol-6-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(2-methoxy-3-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1R)-1-phenylethoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1S)-1-phenylethoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 157634809
N-[3-(2-anilinoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;tert-butyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[5-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide;ethyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[2-fluoro-5-[2-(methoxycarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide;methyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;4-methyl-N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide
CID 157667604
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methyl-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-[(3S)-3-methylmorpholin-4-yl]-1,3-oxazole-4-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyridine-2-carboxamide;N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrrolo[1,2-b]pyridazine-7-carboxamide
CID 157848477
2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
CID 158072187
N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 158200492
tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;N-[5-[6-chloro-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
CID 158206836
2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 158448071
N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;1-(4-hydroxycyclohexyl)-N-(3-methylbutyl)-2-[[5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]amino]benzimidazole-5-carboxamide;[1-(3-hydroxypropyl)-2-[(3-methylbenzoyl)amino]benzimidazol-5-yl] 2,2-dimethylpropanoate;methane;3-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide
CID 158452801
N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;1-(4-hydroxycyclohexyl)-N-(3-methylbutyl)-2-[[5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]amino]benzimidazole-5-carboxamide;[1-(3-hydroxypropyl)-2-[(3-methylbenzoyl)amino]benzimidazol-5-yl] 2,2-dimethylpropanoate;3-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide
CID 158521479
2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
CID 158618815
2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(5-morpholin-4-ylpentyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
CID 158692527

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-6-methyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The IUPAC name of tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-6-methyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide (CID 159586621) is tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-6-methyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide.
What is the SMILES notation for tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-6-methyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The canonical SMILES for tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-6-methyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide is CC(C)(C)OC(=O)N1CCC(CCOc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.CCOc1cc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2cc1C(=O)N1CCOCC1.CCOc1cc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2cc1C(=O)O.Cc1cc(CO)c2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.O=C(Nc1cn[nH]c1-c1nc2ccc(OCCC3CCNCC3)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ncncc2[nH]1)c1c(F)cccc1F.
What is the InChIKey of tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-6-methyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The InChIKey is MJRWBPVJRGRVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N6O4.C24H22F2N6O4.C24H24F2N6O2.C20H15F2N5O4.C19H15F2N5O2.C15H9F2N7O/c1-29(2,3)41-28(39)37-12-9-17(10-13-37)11-14-40-18-7-8-21-22(15-18)34-26(33-21)25-23(16-32-36-25)35-27(38)24-19(30)5-4-6-20(24)31;1-2-36-19-11-17-16(10-13(19)24(34)32-6-8-35-9-7-32)28-22(29-17)21-18(12-27-31-21)30-23(33)20-14(25)4-3-5-15(20)26;25-16-2-1-3-17(26)21(16)24(33)31-20-13-28-32-22(20)23-29-18-5-4-15(12-19(18)30-23)34-11-8-14-6-9-27-10-7-14;1-2-31-15-7-13-12(6-9(15)20(29)30)24-18(25-13)17-14(8-23-27-17)26-19(28)16-10(21)4-3-5-11(16)22;1-9-5-10(8-27)16-13(6-9)23-18(25-16)17-14(7-22-26-17)24-19(28)15-11(20)3-2-4-12(15)21;16-7-2-1-3-8(17)11(7)15(25)22-9-5-20-24-12(9)14-21-10-4-18-6-19-13(10)23-14/h4-8,15-17H,9-14H2,1-3H3,(H,32,36)(H,33,34)(H,35,38);3-5,10-12H,2,6-9H2,1H3,(H,27,31)(H,28,29)(H,30,33);1-5,12-14,27H,6-11H2,(H,28,32)(H,29,30)(H,31,33);3-8H,2H2,1H3,(H,23,27)(H,24,25)(H,26,28)(H,29,30);2-7,27H,8H2,1H3,(H,22,26)(H,23,25)(H,24,28);1-6H,(H,20,24)(H,22,25)(H,18,19,21,23).
What are the key properties of tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-6-methyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-6-methyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide has a molecular weight of 2681.58 g/mol, XLogP of 22.64, 33 rotatable bonds, 21 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-6-methyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 159586621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).