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;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate

C143H138F12N40O16S — CID 160620562

IUPAC2-[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;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate
SMILESCCOc1cc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2cc1C(=O)OC.CN1CCC(N2CCN(C(=O)c3ccc4nc(-c5[nH]ncc5NC(=O)c5c(F)cccc5F)[nH]c4c3)CC2)CC1.CN1CCN(CCCNC(=O)c2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.CS(=O)(=O)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.O=C(NCCCN1CCCC1)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.O=C(NCCCN1CCOCC1)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1
InChIInChI=1S/C28H30F2N8O2.C26H28F2N8O2.C25H25F2N7O3.C25H25F2N7O2.C21H17F2N5O4.C18H13F2N5O3S/c1-36-9-7-18(8-10-36)37-11-13-38(14-12-37)28(40)17-5-6-21-22(15-17)33-26(32-21)25-23(16-31-35-25)34-27(39)24-19(29)3-2-4-20(24)30;1-35-10-12-36(13-11-35)9-3-8-29-25(37)16-6-7-19-20(14-16)32-24(31-19)23-21(15-30-34-23)33-26(38)22-17(27)4-2-5-18(22)28;26-16-3-1-4-17(27)21(16)25(36)32-20-14-29-33-22(20)23-30-18-6-5-15(13-19(18)31-23)24(35)28-7-2-8-34-9-11-37-12-10-34;26-16-5-3-6-17(27)21(16)25(36)32-20-14-29-33-22(20)23-30-18-8-7-15(13-19(18)31-23)24(35)28-9-4-12-34-10-1-2-11-34;1-3-32-16-8-14-13(7-10(16)21(30)31-2)25-19(26-14)18-15(9-24-28-18)27-20(29)17-11(22)5-4-6-12(17)23;1-29(27,28)9-5-6-12-13(7-9)23-17(22-12)16-14(8-21-25-16)24-18(26)15-10(19)3-2-4-11(15)20/h2-6,15-16,18H,7-14H2,1H3,(H,31,35)(H,32,33)(H,34,39);2,4-7,14-15H,3,8-13H2,1H3,(H,29,37)(H,30,34)(H,31,32)(H,33,38);1,3-6,13-14H,2,7-12H2,(H,28,35)(H,29,33)(H,30,31)(H,32,36);3,5-8,13-14H,1-2,4,9-12H2,(H,28,35)(H,29,33)(H,30,31)(H,32,36);4-9H,3H2,1-2H3,(H,24,28)(H,25,26)(H,27,29);2-8H,1H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyRGQKJCNCOQZSBB-UHFFFAOYSA-N
MW2932.98 g/mol
LogP19.38
Rot. Bonds39

About 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;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate

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;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate (PubChem CID 160620562) has the molecular formula C143H138F12N40O16S and a molecular weight of 2932.98 g/mol. Its IUPAC name is 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;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Name2-[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;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate
PubChem CID160620562
Molecular FormulaC143H138F12N40O16S
Molecular Weight2932.98 g/mol
Exact Mass2931.07
IUPAC Name2-[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;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate
SMILESCCOc1cc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2cc1C(=O)OC.CN1CCC(N2CCN(C(=O)c3ccc4nc(-c5[nH]ncc5NC(=O)c5c(F)cccc5F)[nH]c4c3)CC2)CC1.CN1CCN(CCCNC(=O)c2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.CS(=O)(=O)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.O=C(NCCCN1CCCC1)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.O=C(NCCCN1CCOCC1)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1
InChIInChI=1S/C28H30F2N8O2.C26H28F2N8O2.C25H25F2N7O3.C25H25F2N7O2.C21H17F2N5O4.C18H13F2N5O3S/c1-36-9-7-18(8-10-36)37-11-13-38(14-12-37)28(40)17-5-6-21-22(15-17)33-26(32-21)25-23(16-31-35-25)34-27(39)24-19(29)3-2-4-20(24)30;1-35-10-12-36(13-11-35)9-3-8-29-25(37)16-6-7-19-20(14-16)32-24(31-19)23-21(15-30-34-23)33-26(38)22-17(27)4-2-5-18(22)28;26-16-3-1-4-17(27)21(16)25(36)32-20-14-29-33-22(20)23-30-18-6-5-15(13-19(18)31-23)24(35)28-7-2-8-34-9-11-37-12-10-34;26-16-5-3-6-17(27)21(16)25(36)32-20-14-29-33-22(20)23-30-18-8-7-15(13-19(18)31-23)24(35)28-9-4-12-34-10-1-2-11-34;1-3-32-16-8-14-13(7-10(16)21(30)31-2)25-19(26-14)18-15(9-24-28-18)27-20(29)17-11(22)5-4-6-12(17)23;1-29(27,28)9-5-6-12-13(7-9)23-17(22-12)16-14(8-21-25-16)24-18(26)15-10(19)3-2-4-11(15)20/h2-6,15-16,18H,7-14H2,1H3,(H,31,35)(H,32,33)(H,34,39);2,4-7,14-15H,3,8-13H2,1H3,(H,29,37)(H,30,34)(H,31,32)(H,33,38);1,3-6,13-14H,2,7-12H2,(H,28,35)(H,29,33)(H,30,31)(H,32,36);3,5-8,13-14H,1-2,4,9-12H2,(H,28,35)(H,29,33)(H,30,31)(H,32,36);4-9H,3H2,1-2H3,(H,24,28)(H,25,26)(H,27,29);2-8H,1H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyRGQKJCNCOQZSBB-UHFFFAOYSA-N
XLogP19.38
TPSA724.71 Ų
H-Bond Donors21
H-Bond Acceptors34
Rotatable Bonds39
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002932.98
LogP ≤ 519.38
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 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;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate with MolForge

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Related Compounds

2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[6-[4-(4-methylcyclohexyl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate
CID 157264335
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
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
2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;3-(4-fluorophenyl)-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 158097858
tert-butyl N-[2-[[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]amino]-2-oxo-1-phenylethyl]carbamate;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-sulfamoylbenzamide;3-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 158231733
4-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]morpholine-2-carboxamide;1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;2,4-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide;2-methoxy-5-methylsulfonyl-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]morpholine-4-carboxamide
CID 158238072
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
2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;2,2-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3H-1-benzofuran-7-carboxamide;3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide;5-(2-methylpropyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;3-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 159440197
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
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-morpholin-4-ylsulfonyl-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]furan-2-carboxamide
CID 159649004
2,6-difluoro-N-[5-[6-(4-methylpiperazin-1-yl)sulfonyl-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-benzofuran-1-carboxamide
CID 160092240

Frequently Asked Questions

What is the IUPAC name of 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;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate?
The IUPAC name of 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;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate (CID 160620562) is 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;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for 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;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate?
The canonical SMILES for 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;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate is CCOc1cc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2cc1C(=O)OC.CN1CCC(N2CCN(C(=O)c3ccc4nc(-c5[nH]ncc5NC(=O)c5c(F)cccc5F)[nH]c4c3)CC2)CC1.CN1CCN(CCCNC(=O)c2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.CS(=O)(=O)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.O=C(NCCCN1CCCC1)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.O=C(NCCCN1CCOCC1)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.
What is the InChIKey of 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;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate?
The InChIKey is RGQKJCNCOQZSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N8O2.C26H28F2N8O2.C25H25F2N7O3.C25H25F2N7O2.C21H17F2N5O4.C18H13F2N5O3S/c1-36-9-7-18(8-10-36)37-11-13-38(14-12-37)28(40)17-5-6-21-22(15-17)33-26(32-21)25-23(16-31-35-25)34-27(39)24-19(29)3-2-4-20(24)30;1-35-10-12-36(13-11-35)9-3-8-29-25(37)16-6-7-19-20(14-16)32-24(31-19)23-21(15-30-34-23)33-26(38)22-17(27)4-2-5-18(22)28;26-16-3-1-4-17(27)21(16)25(36)32-20-14-29-33-22(20)23-30-18-6-5-15(13-19(18)31-23)24(35)28-7-2-8-34-9-11-37-12-10-34;26-16-5-3-6-17(27)21(16)25(36)32-20-14-29-33-22(20)23-30-18-8-7-15(13-19(18)31-23)24(35)28-9-4-12-34-10-1-2-11-34;1-3-32-16-8-14-13(7-10(16)21(30)31-2)25-19(26-14)18-15(9-24-28-18)27-20(29)17-11(22)5-4-6-12(17)23;1-29(27,28)9-5-6-12-13(7-9)23-17(22-12)16-14(8-21-25-16)24-18(26)15-10(19)3-2-4-11(15)20/h2-6,15-16,18H,7-14H2,1H3,(H,31,35)(H,32,33)(H,34,39);2,4-7,14-15H,3,8-13H2,1H3,(H,29,37)(H,30,34)(H,31,32)(H,33,38);1,3-6,13-14H,2,7-12H2,(H,28,35)(H,29,33)(H,30,31)(H,32,36);3,5-8,13-14H,1-2,4,9-12H2,(H,28,35)(H,29,33)(H,30,31)(H,32,36);4-9H,3H2,1-2H3,(H,24,28)(H,25,26)(H,27,29);2-8H,1H3,(H,21,25)(H,22,23)(H,24,26).
What are the key properties of 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;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate?
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;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate has a molecular weight of 2932.98 g/mol, XLogP of 19.38, 39 rotatable bonds, 21 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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;2,6-difluoro-N-[5-[6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 160620562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).