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-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-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

C147H153F7N38O15 — CID 162171774

IUPAC2,6-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-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-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
SMILESCC1CCC(N2CCN(Cc3ccc4nc(-c5[nH]ncc5NC(=O)c5ccccc5)[nH]c4c3)CC2)CC1.COc1cccc(F)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.COc1ccccc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1c(F)cccc1OC(F)(F)F.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc2c1OCC2.O=C(Nc1cn[nH]c1-c1nc2ccc(CNCCCN3CCOCC3)cc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C29H35N7O.C25H27F2N7O2.C24H24N6O3.C23H20F4N6O3.C23H23FN6O3.C23H24N6O3/c1-20-7-10-23(11-8-20)36-15-13-35(14-16-36)19-21-9-12-24-25(17-21)32-28(31-24)27-26(18-30-34-27)33-29(37)22-5-3-2-4-6-22;26-17-3-1-4-18(27)22(17)25(35)32-21-15-29-33-23(21)24-30-19-6-5-16(13-20(19)31-24)14-28-7-2-8-34-9-11-36-12-10-34;31-24(17-3-1-2-16-6-9-33-22(16)17)28-20-13-25-29-21(20)23-26-18-5-4-15(12-19(18)27-23)14-30-7-10-32-11-8-30;24-14-2-1-3-18(36-23(25,26)27)19(14)22(34)31-17-11-28-32-20(17)21-29-15-5-4-13(10-16(15)30-21)12-33-6-8-35-9-7-33;1-32-19-4-2-3-15(24)20(19)23(31)28-18-12-25-29-21(18)22-26-16-6-5-14(11-17(16)27-22)13-30-7-9-33-10-8-30;1-31-20-5-3-2-4-16(20)23(30)27-19-13-24-28-21(19)22-25-17-7-6-15(12-18(17)26-22)14-29-8-10-32-11-9-29/h2-6,9,12,17-18,20,23H,7-8,10-11,13-16,19H2,1H3,(H,30,34)(H,31,32)(H,33,37);1,3-6,13,15,28H,2,7-12,14H2,(H,29,33)(H,30,31)(H,32,35);1-5,12-13H,6-11,14H2,(H,25,29)(H,26,27)(H,28,31);1-5,10-11H,6-9,12H2,(H,28,32)(H,29,30)(H,31,34);2-6,11-12H,7-10,13H2,1H3,(H,25,29)(H,26,27)(H,28,31);2-7,12-13H,8-11,14H2,1H3,(H,24,28)(H,25,26)(H,27,30)
InChIKeyZNWUAWFFFKBVPA-UHFFFAOYSA-N
MW2825.08 g/mol
LogP21.48
Rot. Bonds38

About 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-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-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

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-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-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 (PubChem CID 162171774) has the molecular formula C147H153F7N38O15 and a molecular weight of 2825.08 g/mol. Its IUPAC name is 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-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-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.

Molecular Properties

Compound Name2,6-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-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-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
PubChem CID162171774
Molecular FormulaC147H153F7N38O15
Molecular Weight2825.08 g/mol
Exact Mass2823.23
IUPAC Name2,6-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-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-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
SMILESCC1CCC(N2CCN(Cc3ccc4nc(-c5[nH]ncc5NC(=O)c5ccccc5)[nH]c4c3)CC2)CC1.COc1cccc(F)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.COc1ccccc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1c(F)cccc1OC(F)(F)F.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc2c1OCC2.O=C(Nc1cn[nH]c1-c1nc2ccc(CNCCCN3CCOCC3)cc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C29H35N7O.C25H27F2N7O2.C24H24N6O3.C23H20F4N6O3.C23H23FN6O3.C23H24N6O3/c1-20-7-10-23(11-8-20)36-15-13-35(14-16-36)19-21-9-12-24-25(17-21)32-28(31-24)27-26(18-30-34-27)33-29(37)22-5-3-2-4-6-22;26-17-3-1-4-18(27)22(17)25(35)32-21-15-29-33-23(21)24-30-19-6-5-16(13-20(19)31-24)14-28-7-2-8-34-9-11-36-12-10-34;31-24(17-3-1-2-16-6-9-33-22(16)17)28-20-13-25-29-21(20)23-26-18-5-4-15(12-19(18)27-23)14-30-7-10-32-11-8-30;24-14-2-1-3-18(36-23(25,26)27)19(14)22(34)31-17-11-28-32-20(17)21-29-15-5-4-13(10-16(15)30-21)12-33-6-8-35-9-7-33;1-32-19-4-2-3-15(24)20(19)23(31)28-18-12-25-29-21(18)22-26-16-6-5-14(11-17(16)27-22)13-30-7-9-33-10-8-30;1-31-20-5-3-2-4-16(20)23(30)27-19-13-24-28-21(19)22-25-17-7-6-15(12-18(17)26-22)14-29-8-10-32-11-9-29/h2-6,9,12,17-18,20,23H,7-8,10-11,13-16,19H2,1H3,(H,30,34)(H,31,32)(H,33,37);1,3-6,13,15,28H,2,7-12,14H2,(H,29,33)(H,30,31)(H,32,35);1-5,12-13H,6-11,14H2,(H,25,29)(H,26,27)(H,28,31);1-5,10-11H,6-9,12H2,(H,28,32)(H,29,30)(H,31,34);2-6,11-12H,7-10,13H2,1H3,(H,25,29)(H,26,27)(H,28,31);2-7,12-13H,8-11,14H2,1H3,(H,24,28)(H,25,26)(H,27,30)
InChIKeyZNWUAWFFFKBVPA-UHFFFAOYSA-N
XLogP21.48
TPSA636.54 Ų
H-Bond Donors19
H-Bond Acceptors35
Rotatable Bonds38
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002825.08
LogP ≤ 521.48
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-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 with MolForge

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Related Compounds

2-fluoro-6-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 136073241
N-[3-(5-morpholin-4-ylmethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-trifluoromethoxy-benzamide
CID 136073345
4-fluoro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 136175271
2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide
CID 136626317
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 157102765
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157110041
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
N-[3-[[2-(furan-3-yl)-9-methylpurin-6-yl]amino]-4-methylphenyl]-3-(trifluoromethoxy)benzamide;N-[4-methyl-3-[(9-methyl-2-pyridin-4-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide;4-methyl-3-[[2-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157248494
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-[5-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[5-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157405004
2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-[2-(2-methoxyphenyl)cyclopropyl]-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide
CID 157486429
1-cyclopentyl-N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine
CID 157498663
6-[(2-amino-4-pyridinyl)oxy]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;bis(6-(1H-indazol-5-ylmethyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 157542616

Frequently Asked Questions

What is the IUPAC name of 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-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-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?
The IUPAC name of 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-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-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 (CID 162171774) is 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-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-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.
What is the SMILES notation for 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-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-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?
The canonical SMILES for 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-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-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 is CC1CCC(N2CCN(Cc3ccc4nc(-c5[nH]ncc5NC(=O)c5ccccc5)[nH]c4c3)CC2)CC1.COc1cccc(F)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.COc1ccccc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1c(F)cccc1OC(F)(F)F.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc2c1OCC2.O=C(Nc1cn[nH]c1-c1nc2ccc(CNCCCN3CCOCC3)cc2[nH]1)c1c(F)cccc1F.
What is the InChIKey of 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-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-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?
The InChIKey is ZNWUAWFFFKBVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O.C25H27F2N7O2.C24H24N6O3.C23H20F4N6O3.C23H23FN6O3.C23H24N6O3/c1-20-7-10-23(11-8-20)36-15-13-35(14-16-36)19-21-9-12-24-25(17-21)32-28(31-24)27-26(18-30-34-27)33-29(37)22-5-3-2-4-6-22;26-17-3-1-4-18(27)22(17)25(35)32-21-15-29-33-23(21)24-30-19-6-5-16(13-20(19)31-24)14-28-7-2-8-34-9-11-36-12-10-34;31-24(17-3-1-2-16-6-9-33-22(16)17)28-20-13-25-29-21(20)23-26-18-5-4-15(12-19(18)27-23)14-30-7-10-32-11-8-30;24-14-2-1-3-18(36-23(25,26)27)19(14)22(34)31-17-11-28-32-20(17)21-29-15-5-4-13(10-16(15)30-21)12-33-6-8-35-9-7-33;1-32-19-4-2-3-15(24)20(19)23(31)28-18-12-25-29-21(18)22-26-16-6-5-14(11-17(16)27-22)13-30-7-9-33-10-8-30;1-31-20-5-3-2-4-16(20)23(30)27-19-13-24-28-21(19)22-25-17-7-6-15(12-18(17)26-22)14-29-8-10-32-11-9-29/h2-6,9,12,17-18,20,23H,7-8,10-11,13-16,19H2,1H3,(H,30,34)(H,31,32)(H,33,37);1,3-6,13,15,28H,2,7-12,14H2,(H,29,33)(H,30,31)(H,32,35);1-5,12-13H,6-11,14H2,(H,25,29)(H,26,27)(H,28,31);1-5,10-11H,6-9,12H2,(H,28,32)(H,29,30)(H,31,34);2-6,11-12H,7-10,13H2,1H3,(H,25,29)(H,26,27)(H,28,31);2-7,12-13H,8-11,14H2,1H3,(H,24,28)(H,25,26)(H,27,30).
What are the key properties of 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-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-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?
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-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-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 has a molecular weight of 2825.08 g/mol, XLogP of 21.48, 38 rotatable bonds, 19 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-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 is sourced from PubChem (CID 162171774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).