2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-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-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide

C109H114N26O13S — CID 159289866

IUPAC2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-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-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.Cc1ccc(OCc2[nH]ccc2C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1(c2ccccc2)CC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1COc1ccccc1
InChIInChI=1S/C29H28N6O3.C28H29N7O3.C27H31N7O5S.C25H26N6O2/c36-29(23-9-5-4-6-21(23)19-38-22-7-2-1-3-8-22)33-26-17-30-34-27(26)28-31-24-11-10-20(16-25(24)32-28)18-35-12-14-37-15-13-35;1-18-2-5-20(6-3-18)38-17-25-21(8-9-29-25)28(36)33-24-15-30-34-26(24)27-31-22-7-4-19(14-23(22)32-27)16-35-10-12-37-13-11-35;1-38-24-7-5-19(40(36,37)34-8-2-3-9-34)15-20(24)27(35)31-23-16-28-32-25(23)26-29-21-6-4-18(14-22(21)30-26)17-33-10-12-39-13-11-33;32-24(25(8-9-25)18-4-2-1-3-5-18)29-21-15-26-30-22(21)23-27-19-7-6-17(14-20(19)28-23)16-31-10-12-33-13-11-31/h1-11,16-17H,12-15,18-19H2,(H,30,34)(H,31,32)(H,33,36);2-9,14-15,29H,10-13,16-17H2,1H3,(H,30,34)(H,31,32)(H,33,36);4-7,14-16H,2-3,8-13,17H2,1H3,(H,28,32)(H,29,30)(H,31,35);1-7,14-15H,8-13,16H2,(H,26,30)(H,27,28)(H,29,32)
InChIKeyKZZAFLLHFJXLDY-UHFFFAOYSA-N
MW2028.35 g/mol
LogP15.16
Rot. Bonds30

About 2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-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-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide

2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-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-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 159289866) has the molecular formula C109H114N26O13S and a molecular weight of 2028.35 g/mol. Its IUPAC name is 2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-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-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-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-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID159289866
Molecular FormulaC109H114N26O13S
Molecular Weight2028.35 g/mol
Exact Mass2026.88
IUPAC Name2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-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-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.Cc1ccc(OCc2[nH]ccc2C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1(c2ccccc2)CC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1COc1ccccc1
InChIInChI=1S/C29H28N6O3.C28H29N7O3.C27H31N7O5S.C25H26N6O2/c36-29(23-9-5-4-6-21(23)19-38-22-7-2-1-3-8-22)33-26-17-30-34-27(26)28-31-24-11-10-20(16-25(24)32-28)18-35-12-14-37-15-13-35;1-18-2-5-20(6-3-18)38-17-25-21(8-9-29-25)28(36)33-24-15-30-34-26(24)27-31-22-7-4-19(14-23(22)32-27)16-35-10-12-37-13-11-35;1-38-24-7-5-19(40(36,37)34-8-2-3-9-34)15-20(24)27(35)31-23-16-28-32-25(23)26-29-21-6-4-18(14-22(21)30-26)17-33-10-12-39-13-11-33;32-24(25(8-9-25)18-4-2-1-3-5-18)29-21-15-26-30-22(21)23-27-19-7-6-17(14-20(19)28-23)16-31-10-12-33-13-11-31/h1-11,16-17H,12-15,18-19H2,(H,30,34)(H,31,32)(H,33,36);2-9,14-15,29H,10-13,16-17H2,1H3,(H,30,34)(H,31,32)(H,33,36);4-7,14-16H,2-3,8-13,17H2,1H3,(H,28,32)(H,29,30)(H,31,35);1-7,14-15H,8-13,16H2,(H,26,30)(H,27,28)(H,29,32)
InChIKeyKZZAFLLHFJXLDY-UHFFFAOYSA-N
XLogP15.16
TPSA476.58 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002028.35
LogP ≤ 515.16
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Analyze 2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-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-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide with MolForge

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Related Compounds

2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 158448071
2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(5-morpholin-4-ylpentyl)-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-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 158692527
4-chloro-2-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]-5-(trifluoromethyl)benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 159112524
N-[5-[6-[(4-cyclopentylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-2-morpholin-4-yl-7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;N-[5-[6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 159146053
2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 159224166
4-fluoro-2-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]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 160940250
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-amino-2-methoxy-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-carboxamide
CID 158121566
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
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
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
3-tert-butyl-1-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-5-carboxamide;tert-butyl 4-[[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamoyl]piperidine-1-carboxylate;2-[(4-methylphenoxy)methyl]-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]-2,1-benzoxazole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide
CID 160097383

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-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-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-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-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide (CID 159289866) is 2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-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-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-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-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-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-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide is COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.Cc1ccc(OCc2[nH]ccc2C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1(c2ccccc2)CC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1COc1ccccc1.
What is the InChIKey of 2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-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-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is KZZAFLLHFJXLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O3.C28H29N7O3.C27H31N7O5S.C25H26N6O2/c36-29(23-9-5-4-6-21(23)19-38-22-7-2-1-3-8-22)33-26-17-30-34-27(26)28-31-24-11-10-20(16-25(24)32-28)18-35-12-14-37-15-13-35;1-18-2-5-20(6-3-18)38-17-25-21(8-9-29-25)28(36)33-24-15-30-34-26(24)27-31-22-7-4-19(14-23(22)32-27)16-35-10-12-37-13-11-35;1-38-24-7-5-19(40(36,37)34-8-2-3-9-34)15-20(24)27(35)31-23-16-28-32-25(23)26-29-21-6-4-18(14-22(21)30-26)17-33-10-12-39-13-11-33;32-24(25(8-9-25)18-4-2-1-3-5-18)29-21-15-26-30-22(21)23-27-19-7-6-17(14-20(19)28-23)16-31-10-12-33-13-11-31/h1-11,16-17H,12-15,18-19H2,(H,30,34)(H,31,32)(H,33,36);2-9,14-15,29H,10-13,16-17H2,1H3,(H,30,34)(H,31,32)(H,33,36);4-7,14-16H,2-3,8-13,17H2,1H3,(H,28,32)(H,29,30)(H,31,35);1-7,14-15H,8-13,16H2,(H,26,30)(H,27,28)(H,29,32).
What are the key properties of 2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-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-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide?
2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-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-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 2028.35 g/mol, XLogP of 15.16, 30 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide;2-[(4-methylphenoxy)methyl]-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-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 159289866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).