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

C146H142F12N40O15S — CID 157264335

IUPAC2-[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
SMILESCC1CCC(N2CCN(C(=O)c3ccc4nc(-c5[nH]ncc5NC(=O)c5c(F)cccc5F)[nH]c4c3)CC2)CC1.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.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(NCCCN1CCNCC1)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1
InChIInChI=1S/C29H31F2N7O2.C28H30F2N8O2.C25H26F2N8O2.C25H25F2N7O2.C21H17F2N5O4.C18H13F2N5O3S/c1-17-5-8-19(9-6-17)37-11-13-38(14-12-37)29(40)18-7-10-22-23(15-18)34-27(33-22)26-24(16-32-36-26)35-28(39)25-20(30)3-2-4-21(25)31;1-36-9-7-18(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;26-16-3-1-4-17(27)21(16)25(37)33-20-14-30-34-22(20)23-31-18-6-5-15(13-19(18)32-23)24(36)29-7-2-10-35-11-8-28-9-12-35;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/h2-4,7,10,15-17,19H,5-6,8-9,11-14H2,1H3,(H,32,36)(H,33,34)(H,35,39);2-6,15-16,18H,7-14H2,1H3,(H,31,35)(H,32,33)(H,34,39);1,3-6,13-14,28H,2,7-12H2,(H,29,36)(H,30,34)(H,31,32)(H,33,37);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)
InChIKeyAXVCYEVMUSUUIQ-UHFFFAOYSA-N
MW2957.05 g/mol
LogP20.92
Rot. Bonds36

About 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

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 (PubChem CID 157264335) has the molecular formula C146H142F12N40O15S and a molecular weight of 2957.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID157264335
Molecular FormulaC146H142F12N40O15S
Molecular Weight2957.05 g/mol
Exact Mass2955.11
IUPAC Name2-[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
SMILESCC1CCC(N2CCN(C(=O)c3ccc4nc(-c5[nH]ncc5NC(=O)c5c(F)cccc5F)[nH]c4c3)CC2)CC1.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.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(NCCCN1CCNCC1)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1
InChIInChI=1S/C29H31F2N7O2.C28H30F2N8O2.C25H26F2N8O2.C25H25F2N7O2.C21H17F2N5O4.C18H13F2N5O3S/c1-17-5-8-19(9-6-17)37-11-13-38(14-12-37)29(40)18-7-10-22-23(15-18)34-27(33-22)26-24(16-32-36-26)35-28(39)25-20(30)3-2-4-21(25)31;1-36-9-7-18(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;26-16-3-1-4-17(27)21(16)25(37)33-20-14-30-34-22(20)23-31-18-6-5-15(13-19(18)32-23)24(36)29-7-2-10-35-11-8-28-9-12-35;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/h2-4,7,10,15-17,19H,5-6,8-9,11-14H2,1H3,(H,32,36)(H,33,34)(H,35,39);2-6,15-16,18H,7-14H2,1H3,(H,31,35)(H,32,33)(H,34,39);1,3-6,13-14,28H,2,7-12H2,(H,29,36)(H,30,34)(H,31,32)(H,33,37);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)
InChIKeyAXVCYEVMUSUUIQ-UHFFFAOYSA-N
XLogP20.92
TPSA715.48 Ų
H-Bond Donors21
H-Bond Acceptors33
Rotatable Bonds36
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002957.05
LogP ≤ 520.92
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1033

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-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 with MolForge

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Related Compounds

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
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
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
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;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 160098007
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
tert-butyl N-[2-[[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]amino]-2-oxo-1-phenylethyl]carbamate;2,2-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3H-1-benzofuran-7-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 160721632
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;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-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]furan-2-carboxamide
CID 161061170
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;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;N-[5-[5-ethoxy-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-6-ethoxy-3H-benzimidazole-5-carboxylate
CID 161939099

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCC(N2CCN(C(=O)c3ccc4nc(-c5[nH]ncc5NC(=O)c5c(F)cccc5F)[nH]c4c3)CC2)CC1.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.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(NCCCN1CCNCC1)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-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?
The InChIKey is AXVCYEVMUSUUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2N7O2.C28H30F2N8O2.C25H26F2N8O2.C25H25F2N7O2.C21H17F2N5O4.C18H13F2N5O3S/c1-17-5-8-19(9-6-17)37-11-13-38(14-12-37)29(40)18-7-10-22-23(15-18)34-27(33-22)26-24(16-32-36-26)35-28(39)25-20(30)3-2-4-21(25)31;1-36-9-7-18(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;26-16-3-1-4-17(27)21(16)25(37)33-20-14-30-34-22(20)23-31-18-6-5-15(13-19(18)32-23)24(36)29-7-2-10-35-11-8-28-9-12-35;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/h2-4,7,10,15-17,19H,5-6,8-9,11-14H2,1H3,(H,32,36)(H,33,34)(H,35,39);2-6,15-16,18H,7-14H2,1H3,(H,31,35)(H,32,33)(H,34,39);1,3-6,13-14,28H,2,7-12H2,(H,29,36)(H,30,34)(H,31,32)(H,33,37);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-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?
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 has a molecular weight of 2957.05 g/mol, XLogP of 20.92, 36 rotatable bonds, 21 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157264335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).