4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide

C96H100ClN27O14S2 — CID 162198709

IUPAC4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCOc1cc2nc(-c3[nH]ncc3NC(=O)C3CCC(N)CC3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)[nH]c2cc1OC.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cc(-c2ccccc2)no1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C27H24ClN7O2S.C25H29N7O6S.C25H23N7O3.C19H24N6O3/c28-18-4-6-19(7-5-18)38-27-20(2-1-9-29-27)26(36)33-23-15-30-34-24(23)25-31-21-8-3-17(14-22(21)32-25)16-35-10-12-37-13-11-35;1-31-7-9-32(10-8-31)39(34,35)15-5-6-20(36-2)16(11-15)25(33)29-19-14-26-30-23(19)24-27-17-12-21(37-3)22(38-4)13-18(17)28-24;33-25(22-13-19(31-35-22)17-4-2-1-3-5-17)29-21-14-26-30-23(21)24-27-18-7-6-16(12-20(18)28-24)15-32-8-10-34-11-9-32;1-27-15-7-12-13(8-16(15)28-2)23-18(22-12)17-14(9-21-25-17)24-19(26)10-3-5-11(20)6-4-10/h1-9,14-15H,10-13,16H2,(H,30,34)(H,31,32)(H,33,36);5-6,11-14H,7-10H2,1-4H3,(H,26,30)(H,27,28)(H,29,33);1-7,12-14H,8-11,15H2,(H,26,30)(H,27,28)(H,29,33);7-11H,3-6,20H2,1-2H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyZRHGRVLBONGKKY-UHFFFAOYSA-N
MW1955.62 g/mol
LogP13.52
Rot. Bonds26

About 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide

4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 162198709) has the molecular formula C96H100ClN27O14S2 and a molecular weight of 1955.62 g/mol. Its IUPAC name is 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID162198709
Molecular FormulaC96H100ClN27O14S2
Molecular Weight1955.62 g/mol
Exact Mass1953.71
IUPAC Name4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCOc1cc2nc(-c3[nH]ncc3NC(=O)C3CCC(N)CC3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)[nH]c2cc1OC.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cc(-c2ccccc2)no1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C27H24ClN7O2S.C25H29N7O6S.C25H23N7O3.C19H24N6O3/c28-18-4-6-19(7-5-18)38-27-20(2-1-9-29-27)26(36)33-23-15-30-34-24(23)25-31-21-8-3-17(14-22(21)32-25)16-35-10-12-37-13-11-35;1-31-7-9-32(10-8-31)39(34,35)15-5-6-20(36-2)16(11-15)25(33)29-19-14-26-30-23(19)24-27-17-12-21(37-3)22(38-4)13-18(17)28-24;33-25(22-13-19(31-35-22)17-4-2-1-3-5-17)29-21-14-26-30-23(21)24-27-18-7-6-16(12-20(18)28-24)15-32-8-10-34-11-9-32;1-27-15-7-12-13(8-16(15)28-2)23-18(22-12)17-14(9-21-25-17)24-19(26)10-3-5-11(20)6-4-10/h1-9,14-15H,10-13,16H2,(H,30,34)(H,31,32)(H,33,36);5-6,11-14H,7-10H2,1-4H3,(H,26,30)(H,27,28)(H,29,33);1-7,12-14H,8-11,15H2,(H,26,30)(H,27,28)(H,29,33);7-11H,3-6,20H2,1-2H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyZRHGRVLBONGKKY-UHFFFAOYSA-N
XLogP13.52
TPSA522.49 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001955.62
LogP ≤ 513.52
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Analyze 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

2-chloro-5-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 157393088
2-(4-chlorophenyl)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide;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;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]thiophene-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-benzofuran-1-carboxamide
CID 157692171
2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;2-(methylamino)-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]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 157853861
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
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 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
4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 159713924
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methoxybenzamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;2-(methylamino)-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]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 160137919

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide (CID 162198709) is 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide is COc1cc2nc(-c3[nH]ncc3NC(=O)C3CCC(N)CC3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)[nH]c2cc1OC.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cc(-c2ccccc2)no1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccnc1Sc1ccc(Cl)cc1.
What is the InChIKey of 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is ZRHGRVLBONGKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN7O2S.C25H29N7O6S.C25H23N7O3.C19H24N6O3/c28-18-4-6-19(7-5-18)38-27-20(2-1-9-29-27)26(36)33-23-15-30-34-24(23)25-31-21-8-3-17(14-22(21)32-25)16-35-10-12-37-13-11-35;1-31-7-9-32(10-8-31)39(34,35)15-5-6-20(36-2)16(11-15)25(33)29-19-14-26-30-23(19)24-27-17-12-21(37-3)22(38-4)13-18(17)28-24;33-25(22-13-19(31-35-22)17-4-2-1-3-5-17)29-21-14-26-30-23(21)24-27-18-7-6-16(12-20(18)28-24)15-32-8-10-34-11-9-32;1-27-15-7-12-13(8-16(15)28-2)23-18(22-12)17-14(9-21-25-17)24-19(26)10-3-5-11(20)6-4-10/h1-9,14-15H,10-13,16H2,(H,30,34)(H,31,32)(H,33,36);5-6,11-14H,7-10H2,1-4H3,(H,26,30)(H,27,28)(H,29,33);1-7,12-14H,8-11,15H2,(H,26,30)(H,27,28)(H,29,33);7-11H,3-6,20H2,1-2H3,(H,21,25)(H,22,23)(H,24,26).
What are the key properties of 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide?
4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 1955.62 g/mol, XLogP of 13.52, 26 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 162198709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).