4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-ethyl-5-methylpyrimidin-4-yl)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-piperidin-4-ylethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide

C91H102N28O9 — CID 160501112

IUPAC4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-ethyl-5-methylpyrimidin-4-yl)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-piperidin-4-ylethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide
SMILESCCc1ncc(C)c(C(=O)Cc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1.Cc1cc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(=O)[nH]1.O=C(Cc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCNCC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cn2c(n1)CC=C2
InChIInChI=1S/C24H27N7O2.C23H25N7O3.C22H22N8O2.C22H28N6O2/c1-3-21-25-12-15(2)22(29-21)20(32)11-17-13-26-30-23(17)24-27-18-5-4-16(10-19(18)28-24)14-31-6-8-33-9-7-31;1-13-9-14(2)25-22(31)19(13)23(32)28-18-11-24-29-20(18)21-26-16-4-3-15(10-17(16)27-21)12-30-5-7-33-8-6-30;31-22(18-13-30-5-1-2-19(30)24-18)27-17-11-23-28-20(17)21-25-15-4-3-14(10-16(15)26-21)12-29-6-8-32-9-7-29;29-20(16-3-5-23-6-4-16)12-17-13-24-27-21(17)22-25-18-2-1-15(11-19(18)26-22)14-28-7-9-30-10-8-28/h4-5,10,12-13H,3,6-9,11,14H2,1-2H3,(H,26,30)(H,27,28);3-4,9-11H,5-8,12H2,1-2H3,(H,24,29)(H,25,31)(H,26,27)(H,28,32);1,3-5,10-11,13H,2,6-9,12H2,(H,23,28)(H,25,26)(H,27,31);1-2,11,13,16,23H,3-10,12,14H2,(H,24,27)(H,25,26)
InChIKeyQRUFYWPEJGCANH-UHFFFAOYSA-N
MW1732.00 g/mol
LogP9.37
Rot. Bonds23

About 4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-ethyl-5-methylpyrimidin-4-yl)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-piperidin-4-ylethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide

4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-ethyl-5-methylpyrimidin-4-yl)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-piperidin-4-ylethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide (PubChem CID 160501112) has the molecular formula C91H102N28O9 and a molecular weight of 1732.00 g/mol. Its IUPAC name is 4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-ethyl-5-methylpyrimidin-4-yl)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-piperidin-4-ylethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-ethyl-5-methylpyrimidin-4-yl)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-piperidin-4-ylethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide
PubChem CID160501112
Molecular FormulaC91H102N28O9
Molecular Weight1732.00 g/mol
Exact Mass1730.84
IUPAC Name4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-ethyl-5-methylpyrimidin-4-yl)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-piperidin-4-ylethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide
SMILESCCc1ncc(C)c(C(=O)Cc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1.Cc1cc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(=O)[nH]1.O=C(Cc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCNCC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cn2c(n1)CC=C2
InChIInChI=1S/C24H27N7O2.C23H25N7O3.C22H22N8O2.C22H28N6O2/c1-3-21-25-12-15(2)22(29-21)20(32)11-17-13-26-30-23(17)24-27-18-5-4-16(10-19(18)28-24)14-31-6-8-33-9-7-31;1-13-9-14(2)25-22(31)19(13)23(32)28-18-11-24-29-20(18)21-26-16-4-3-15(10-17(16)27-21)12-30-5-7-33-8-6-30;31-22(18-13-30-5-1-2-19(30)24-18)27-17-11-23-28-20(17)21-25-15-4-3-14(10-16(15)26-21)12-29-6-8-32-9-7-29;29-20(16-3-5-23-6-4-16)12-17-13-24-27-21(17)22-25-18-2-1-15(11-19(18)26-22)14-28-7-9-30-10-8-28/h4-5,10,12-13H,3,6-9,11,14H2,1-2H3,(H,26,30)(H,27,28);3-4,9-11H,5-8,12H2,1-2H3,(H,24,29)(H,25,31)(H,26,27)(H,28,32);1,3-5,10-11,13H,2,6-9,12H2,(H,23,28)(H,25,26)(H,27,31);1-2,11,13,16,23H,3-10,12,14H2,(H,24,27)(H,25,26)
InChIKeyQRUFYWPEJGCANH-UHFFFAOYSA-N
XLogP9.37
TPSA460.15 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001732.00
LogP ≤ 59.37
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze 4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-ethyl-5-methylpyrimidin-4-yl)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-piperidin-4-ylethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-amino-3-pyridinyl)-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethoxyethane
CID 157154090
5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine
CID 157192628
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157470632
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157541863
2,6-difluoro-N-[5-[4-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;4-fluoro-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]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide
CID 157708135
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157944867
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine
CID 158135452
3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(2-phenylethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 158570745
3-amino-N-[[1-benzyl-3-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]-6-bromopyrazine-2-carboxamide;3-amino-6-bromo-N-[[5-[1-(1-carbamimidoylpiperidin-4-yl)pyrazol-4-yl]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3R)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethyl-N-[(3S)-2-oxooxolan-3-yl]benzimidazol-1-ium-5-carboxamide;tert-butyl 4-[4-[2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;carbanide
CID 158649943
2-[4-(5-cyanopyrazin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(morpholine-4-carbonyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
CID 158969803
3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide
CID 159174326
3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylbenzamide
CID 159268866

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-ethyl-5-methylpyrimidin-4-yl)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-piperidin-4-ylethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-ethyl-5-methylpyrimidin-4-yl)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-piperidin-4-ylethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide (CID 160501112) is 4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-ethyl-5-methylpyrimidin-4-yl)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-piperidin-4-ylethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-ethyl-5-methylpyrimidin-4-yl)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-piperidin-4-ylethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-ethyl-5-methylpyrimidin-4-yl)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-piperidin-4-ylethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide is CCc1ncc(C)c(C(=O)Cc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1.Cc1cc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(=O)[nH]1.O=C(Cc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCNCC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cn2c(n1)CC=C2.
What is the InChIKey of 4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-ethyl-5-methylpyrimidin-4-yl)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-piperidin-4-ylethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The InChIKey is QRUFYWPEJGCANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2.C23H25N7O3.C22H22N8O2.C22H28N6O2/c1-3-21-25-12-15(2)22(29-21)20(32)11-17-13-26-30-23(17)24-27-18-5-4-16(10-19(18)28-24)14-31-6-8-33-9-7-31;1-13-9-14(2)25-22(31)19(13)23(32)28-18-11-24-29-20(18)21-26-16-4-3-15(10-17(16)27-21)12-30-5-7-33-8-6-30;31-22(18-13-30-5-1-2-19(30)24-18)27-17-11-23-28-20(17)21-25-15-4-3-14(10-16(15)26-21)12-29-6-8-32-9-7-29;29-20(16-3-5-23-6-4-16)12-17-13-24-27-21(17)22-25-18-2-1-15(11-19(18)26-22)14-28-7-9-30-10-8-28/h4-5,10,12-13H,3,6-9,11,14H2,1-2H3,(H,26,30)(H,27,28);3-4,9-11H,5-8,12H2,1-2H3,(H,24,29)(H,25,31)(H,26,27)(H,28,32);1,3-5,10-11,13H,2,6-9,12H2,(H,23,28)(H,25,26)(H,27,31);1-2,11,13,16,23H,3-10,12,14H2,(H,24,27)(H,25,26).
What are the key properties of 4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-ethyl-5-methylpyrimidin-4-yl)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-piperidin-4-ylethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide?
4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-ethyl-5-methylpyrimidin-4-yl)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-piperidin-4-ylethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide has a molecular weight of 1732.00 g/mol, XLogP of 9.37, 23 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-ethyl-5-methylpyrimidin-4-yl)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-piperidin-4-ylethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide is sourced from PubChem (CID 160501112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).