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

C95H103N25O21S3 — CID 158231733

IUPACtert-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
SMILESCC(C)(C)OC(=O)NC(C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(S(N)(=O)=O)ccc3OC)[nH]c2cc1OC.CS(=O)(=O)c1cccc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1
InChIInChI=1S/C28H33N7O4.C24H26N6O7S.C23H24N6O4S.C20H20N6O6S/c1-28(2,3)39-27(37)33-23(19-7-5-4-6-8-19)26(36)32-22-16-29-34-24(22)25-30-20-10-9-18(15-21(20)31-25)17-35-11-13-38-14-12-35;1-34-19-5-4-14(38(32,33)30-6-8-37-9-7-30)10-15(19)24(31)28-18-13-25-29-22(18)23-26-16-11-20(35-2)21(36-3)12-17(16)27-23;1-34(31,32)17-4-2-3-16(12-17)23(30)27-20-13-24-28-21(20)22-25-18-6-5-15(11-19(18)26-22)14-29-7-9-33-10-8-29;1-30-15-5-4-10(33(21,28)29)6-11(15)20(27)25-14-9-22-26-18(14)19-23-12-7-16(31-2)17(32-3)8-13(12)24-19/h4-10,15-16,23H,11-14,17H2,1-3H3,(H,29,34)(H,30,31)(H,32,36)(H,33,37);4-5,10-13H,6-9H2,1-3H3,(H,25,29)(H,26,27)(H,28,31);2-6,11-13H,7-10,14H2,1H3,(H,24,28)(H,25,26)(H,27,30);4-9H,1-3H3,(H,22,26)(H,23,24)(H,25,27)(H2,21,28,29)
InChIKeyGELNWSJBEKWLGG-UHFFFAOYSA-N
MW2027.22 g/mol
LogP10.56
Rot. Bonds28

About 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

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 (PubChem CID 158231733) has the molecular formula C95H103N25O21S3 and a molecular weight of 2027.22 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID158231733
Molecular FormulaC95H103N25O21S3
Molecular Weight2027.22 g/mol
Exact Mass2025.69
IUPAC Nametert-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
SMILESCC(C)(C)OC(=O)NC(C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(S(N)(=O)=O)ccc3OC)[nH]c2cc1OC.CS(=O)(=O)c1cccc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1
InChIInChI=1S/C28H33N7O4.C24H26N6O7S.C23H24N6O4S.C20H20N6O6S/c1-28(2,3)39-27(37)33-23(19-7-5-4-6-8-19)26(36)32-22-16-29-34-24(22)25-30-20-10-9-18(15-21(20)31-25)17-35-11-13-38-14-12-35;1-34-19-5-4-14(38(32,33)30-6-8-37-9-7-30)10-15(19)24(31)28-18-13-25-29-22(18)23-26-16-11-20(35-2)21(36-3)12-17(16)27-23;1-34(31,32)17-4-2-3-16(12-17)23(30)27-20-13-24-28-21(20)22-25-18-6-5-15(11-19(18)26-22)14-29-7-9-33-10-8-29;1-30-15-5-4-10(33(21,28)29)6-11(15)20(27)25-14-9-22-26-18(14)19-23-12-7-16(31-2)17(32-3)8-13(12)24-19/h4-10,15-16,23H,11-14,17H2,1-3H3,(H,29,34)(H,30,31)(H,32,36)(H,33,37);4-5,10-13H,6-9H2,1-3H3,(H,25,29)(H,26,27)(H,28,31);2-6,11-13H,7-10,14H2,1H3,(H,24,28)(H,25,26)(H,27,30);4-9H,1-3H3,(H,22,26)(H,23,24)(H,25,27)(H2,21,28,29)
InChIKeyGELNWSJBEKWLGG-UHFFFAOYSA-N
XLogP10.56
TPSA605.40 Ų
H-Bond Donors14
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002027.22
LogP ≤ 510.56
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1031

Analyze 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 with MolForge

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Related Compounds

N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 136073366
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
5-chloro-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;N-[5-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-sulfamoylbenzamide;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]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 158076596
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
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 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;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 158258940
1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;5-chloro-2-methoxy-N-[5-[5-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;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
CID 159146204
N-[5-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;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;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylurea
CID 159423671
tert-butyl N-[2-[[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]amino]-2-oxo-1-phenylethyl]carbamate;5-chloro-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;N-[5-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;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;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylurea
CID 160435855
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
4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;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;2-(4-methylphenoxy)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 161560563

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)NC(C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(S(N)(=O)=O)ccc3OC)[nH]c2cc1OC.CS(=O)(=O)c1cccc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1.
What is the InChIKey of 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?
The InChIKey is GELNWSJBEKWLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O4.C24H26N6O7S.C23H24N6O4S.C20H20N6O6S/c1-28(2,3)39-27(37)33-23(19-7-5-4-6-8-19)26(36)32-22-16-29-34-24(22)25-30-20-10-9-18(15-21(20)31-25)17-35-11-13-38-14-12-35;1-34-19-5-4-14(38(32,33)30-6-8-37-9-7-30)10-15(19)24(31)28-18-13-25-29-22(18)23-26-16-11-20(35-2)21(36-3)12-17(16)27-23;1-34(31,32)17-4-2-3-16(12-17)23(30)27-20-13-24-28-21(20)22-25-18-6-5-15(11-19(18)26-22)14-29-7-9-33-10-8-29;1-30-15-5-4-10(33(21,28)29)6-11(15)20(27)25-14-9-22-26-18(14)19-23-12-7-16(31-2)17(32-3)8-13(12)24-19/h4-10,15-16,23H,11-14,17H2,1-3H3,(H,29,34)(H,30,31)(H,32,36)(H,33,37);4-5,10-13H,6-9H2,1-3H3,(H,25,29)(H,26,27)(H,28,31);2-6,11-13H,7-10,14H2,1H3,(H,24,28)(H,25,26)(H,27,30);4-9H,1-3H3,(H,22,26)(H,23,24)(H,25,27)(H2,21,28,29).
What are the key properties of 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?
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 has a molecular weight of 2027.22 g/mol, XLogP of 10.56, 28 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158231733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).