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-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;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

C130H114ClF12N35O17 — CID 157336998

IUPACtert-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-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;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.O=C(Nc1cn[nH]c1-c1nc2c(CO)cc(Cl)cc2[nH]1)c1c(F)cccc1F.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.C18H12ClF2N5O2.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;19-9-4-8(7-27)15-12(5-9)23-17(25-15)16-13(6-22-26-16)24-18(28)14-10(20)2-1-3-11(14)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);1-6,27H,7H2,(H,22,26)(H,23,25)(H,24,28);1-6H,(H,20,24)(H,22,25)(H,18,19,21,23)
InChIKeyBFYHLXIWLAEDGQ-UHFFFAOYSA-N
MW2702.00 g/mol
LogP22.99
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;N-[5-[6-chloro-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;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;N-[5-[6-chloro-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;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 157336998) has the molecular formula C130H114ClF12N35O17 and a molecular weight of 2702.00 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;N-[5-[6-chloro-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;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;N-[5-[6-chloro-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;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 CID157336998
Molecular FormulaC130H114ClF12N35O17
Molecular Weight2702.00 g/mol
Exact Mass2699.86
IUPAC Nametert-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-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;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.O=C(Nc1cn[nH]c1-c1nc2c(CO)cc(Cl)cc2[nH]1)c1c(F)cccc1F.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.C18H12ClF2N5O2.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;19-9-4-8(7-27)15-12(5-9)23-17(25-15)16-13(6-22-26-16)24-18(28)14-10(20)2-1-3-11(14)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);1-6,27H,7H2,(H,22,26)(H,23,25)(H,24,28);1-6H,(H,20,24)(H,22,25)(H,18,19,21,23)
InChIKeyBFYHLXIWLAEDGQ-UHFFFAOYSA-N
XLogP22.99
TPSA710.10 Ų
H-Bond Donors21
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002702.00
LogP ≤ 522.99
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;N-[5-[6-chloro-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;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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Launch Full Analysis

Related Compounds

4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
CID 158159007
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
(E)-1-[2-chloro-5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]phenyl]-4-(dimethylamino)but-2-en-1-one;2-[[2-chloro-4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]phenyl]-hydroxymethyl]-N,N-dimethylprop-2-enamide;1-(2,4-difluoro-3-pyridinyl)-2-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]ethanone;(E)-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;(E)-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]pent-3-en-2-one;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]-3-pyrazol-1-ylbut-3-en-2-one
CID 158547636
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
4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
CID 158622416
(E)-1-[2-chloro-5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]phenyl]-4-(dimethylamino)but-2-en-1-one;2-[[2-chloro-4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]phenyl]-hydroxymethyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;(E)-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]pent-3-en-2-one;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]-3-pyrazol-1-ylbut-3-en-2-one
CID 159945551
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-fluoro-2-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]benzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide
CID 157679382
N-[5-(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;N-[5-[6-chloro-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[6-[4-(4-methylcyclohexyl)piperazine-1-carbonyl]-1H-benzimidazol-2-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 157978896
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-6-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trichlorobenzamide;2,6-difluoro-N-[5-[5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[5-hydroxy-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]benzamide
CID 158162837
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-6-methoxybenzamide;N-[5-[4-(chloromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate
CID 158189063
N-[5-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]-2-fluoro-6-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylurea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(piperidin-1-ylmethyl)cyclopenta-1,3-diene-1-carboxamide
CID 158839068
tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;2,6-difluoro-N-[5-[6-hydroxy-4-(hydroxymethyl)-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;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide
CID 159055576

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;N-[5-[6-chloro-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;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;N-[5-[6-chloro-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;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 157336998) is 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-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;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;N-[5-[6-chloro-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;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;N-[5-[6-chloro-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;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.O=C(Nc1cn[nH]c1-c1nc2c(CO)cc(Cl)cc2[nH]1)c1c(F)cccc1F.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;N-[5-[6-chloro-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;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 BFYHLXIWLAEDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N6O4.C24H22F2N6O4.C24H24F2N6O2.C20H15F2N5O4.C18H12ClF2N5O2.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;19-9-4-8(7-27)15-12(5-9)23-17(25-15)16-13(6-22-26-16)24-18(28)14-10(20)2-1-3-11(14)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);1-6,27H,7H2,(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;N-[5-[6-chloro-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;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;N-[5-[6-chloro-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;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 2702.00 g/mol, XLogP of 22.99, 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;N-[5-[6-chloro-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylic acid;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 157336998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).