1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide

C155H127ClFN25O9S2 — CID 162170705

IUPAC1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide
SMILESCc1cc(CC(=O)c2cccc(-n3cc(CC(=O)c4cc5cccc(Cl)c5[nH]4)cn3)c2)ccn1.Cc1cc(CC(=O)c2cccc(-n3cc(CC(=O)c4cc5ccccc5[nH]4)cn3)c2)ccn1.Cc1ccc(CC(=O)c2cccc(-n3cc(Cc4nc5ccc(F)cc5s4)cn3)c2)cn1.Cc1ccc(CC(=O)c2cccc(-n3cc(Cc4nc5ccccc5[nH]4)cn3)c2)cn1.Cc1ccc(CC(=O)c2cccc(-n3cc(Cc4nc5ccccc5s4)cn3)c2)cn1.Cc1cccc(CNC(=O)c2cnn(-c3cccc(C(=O)Cc4ccc(C)nc4)c3)c2)c1
InChIInChI=1S/C27H21ClN4O2.C27H22N4O2.C26H24N4O2.C25H19FN4OS.C25H21N5O.C25H20N4OS/c1-17-10-18(8-9-29-17)11-25(33)20-4-2-6-22(13-20)32-16-19(15-30-32)12-26(34)24-14-21-5-3-7-23(28)27(21)31-24;1-18-11-19(9-10-28-18)12-26(32)22-6-4-7-23(14-22)31-17-20(16-29-31)13-27(33)25-15-21-5-2-3-8-24(21)30-25;1-18-5-3-6-20(11-18)15-28-26(32)23-16-29-30(17-23)24-8-4-7-22(13-24)25(31)12-21-10-9-19(2)27-14-21;1-16-5-6-17(13-27-16)9-23(31)19-3-2-4-21(11-19)30-15-18(14-28-30)10-25-29-22-8-7-20(26)12-24(22)32-25;1-17-9-10-18(14-26-17)11-24(31)20-5-4-6-21(13-20)30-16-19(15-27-30)12-25-28-22-7-2-3-8-23(22)29-25;1-17-9-10-18(14-26-17)11-23(30)20-5-4-6-21(13-20)29-16-19(15-27-29)12-25-28-22-7-2-3-8-24(22)31-25/h2-10,13-16,31H,11-12H2,1H3;2-11,14-17,30H,12-13H2,1H3;3-11,13-14,16-17H,12,15H2,1-2H3,(H,28,32);2-8,11-15H,9-10H2,1H3;2-10,13-16H,11-12H2,1H3,(H,28,29);2-10,13-16H,11-12H2,1H3
InChIKeyZNTBAJMVGVLZFJ-UHFFFAOYSA-N
MW2602.47 g/mol
LogP29.72
Rot. Bonds39

About 1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide

1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide (PubChem CID 162170705) has the molecular formula C155H127ClFN25O9S2 and a molecular weight of 2602.47 g/mol. Its IUPAC name is 1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide
PubChem CID162170705
Molecular FormulaC155H127ClFN25O9S2
Molecular Weight2602.47 g/mol
Exact Mass2599.94
IUPAC Name1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide
SMILESCc1cc(CC(=O)c2cccc(-n3cc(CC(=O)c4cc5cccc(Cl)c5[nH]4)cn3)c2)ccn1.Cc1cc(CC(=O)c2cccc(-n3cc(CC(=O)c4cc5ccccc5[nH]4)cn3)c2)ccn1.Cc1ccc(CC(=O)c2cccc(-n3cc(Cc4nc5ccc(F)cc5s4)cn3)c2)cn1.Cc1ccc(CC(=O)c2cccc(-n3cc(Cc4nc5ccccc5[nH]4)cn3)c2)cn1.Cc1ccc(CC(=O)c2cccc(-n3cc(Cc4nc5ccccc5s4)cn3)c2)cn1.Cc1cccc(CNC(=O)c2cnn(-c3cccc(C(=O)Cc4ccc(C)nc4)c3)c2)c1
InChIInChI=1S/C27H21ClN4O2.C27H22N4O2.C26H24N4O2.C25H19FN4OS.C25H21N5O.C25H20N4OS/c1-17-10-18(8-9-29-17)11-25(33)20-4-2-6-22(13-20)32-16-19(15-30-32)12-26(34)24-14-21-5-3-7-23(28)27(21)31-24;1-18-11-19(9-10-28-18)12-26(32)22-6-4-7-23(14-22)31-17-20(16-29-31)13-27(33)25-15-21-5-2-3-8-24(21)30-25;1-18-5-3-6-20(11-18)15-28-26(32)23-16-29-30(17-23)24-8-4-7-22(13-24)25(31)12-21-10-9-19(2)27-14-21;1-16-5-6-17(13-27-16)9-23(31)19-3-2-4-21(11-19)30-15-18(14-28-30)10-25-29-22-8-7-20(26)12-24(22)32-25;1-17-9-10-18(14-26-17)11-24(31)20-5-4-6-21(13-20)30-16-19(15-27-30)12-25-28-22-7-2-3-8-23(22)29-25;1-17-9-10-18(14-26-17)11-23(30)20-5-4-6-21(13-20)29-16-19(15-27-29)12-25-28-22-7-2-3-8-24(22)31-25/h2-10,13-16,31H,11-12H2,1H3;2-11,14-17,30H,12-13H2,1H3;3-11,13-14,16-17H,12,15H2,1-2H3,(H,28,32);2-8,11-15H,9-10H2,1H3;2-10,13-16H,11-12H2,1H3,(H,28,29);2-10,13-16H,11-12H2,1H3
InChIKeyZNTBAJMVGVLZFJ-UHFFFAOYSA-N
XLogP29.72
TPSA435.96 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds39
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002602.47
LogP ≤ 529.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze 1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[4-[2-(5-fluoro-2-pyridinyl)acetyl]phenyl]indol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]pyrazolo[3,4-c]pyridin-1-yl]phenyl]pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1,3-thiazole-2-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]indol-5-yl]benzamide
CID 157379819
6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 157487129
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-chloro-3,4-dimethylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-ylphenyl)methanone;cinnolin-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 157677840
CID 158111497
CID 158111497
5-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;N-[2,2-dimethyl-3-[4-(1-methylindazol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;1,4-dimethyl-N-[3-(4-quinolin-6-ylphenyl)propyl]pyrrole-2-carboxamide;5-[4-(1-methylbenzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;5-[4-(6-methyl-1H-indazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;5-[4-(7-methyl-1H-indazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;2-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;6-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;5-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;5-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;1-pyridin-3-yl-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]pentan-2-one;N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
CID 158758337
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide
CID 158920265
1-[5-acetyl-6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(1-methylpyrrol-2-yl)ethyl]pyrazin-2-yl]-8-methyl-2H-isoquinolin-1-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methyl-1,2-thiazol-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine
CID 158976785
3-(1H-benzimidazol-2-yl)-1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one;1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one;3-(6-fluoro-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(1H-imidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 159101509
3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;1-[4-[(2,3-dimethyl-1H-indol-5-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one;1-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]-2-pyridazin-3-ylethanone;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one
CID 159245628
N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-benzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide
CID 159361991
1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide
CID 159604590
5-chloro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;2,4-dimethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-thiazole-5-carboxamide;5-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-5-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-6-carboxamide
CID 159656865

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide (CID 162170705) is 1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide is Cc1cc(CC(=O)c2cccc(-n3cc(CC(=O)c4cc5cccc(Cl)c5[nH]4)cn3)c2)ccn1.Cc1cc(CC(=O)c2cccc(-n3cc(CC(=O)c4cc5ccccc5[nH]4)cn3)c2)ccn1.Cc1ccc(CC(=O)c2cccc(-n3cc(Cc4nc5ccc(F)cc5s4)cn3)c2)cn1.Cc1ccc(CC(=O)c2cccc(-n3cc(Cc4nc5ccccc5[nH]4)cn3)c2)cn1.Cc1ccc(CC(=O)c2cccc(-n3cc(Cc4nc5ccccc5s4)cn3)c2)cn1.Cc1cccc(CNC(=O)c2cnn(-c3cccc(C(=O)Cc4ccc(C)nc4)c3)c2)c1.
What is the InChIKey of 1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is ZNTBAJMVGVLZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O2.C27H22N4O2.C26H24N4O2.C25H19FN4OS.C25H21N5O.C25H20N4OS/c1-17-10-18(8-9-29-17)11-25(33)20-4-2-6-22(13-20)32-16-19(15-30-32)12-26(34)24-14-21-5-3-7-23(28)27(21)31-24;1-18-11-19(9-10-28-18)12-26(32)22-6-4-7-23(14-22)31-17-20(16-29-31)13-27(33)25-15-21-5-2-3-8-24(21)30-25;1-18-5-3-6-20(11-18)15-28-26(32)23-16-29-30(17-23)24-8-4-7-22(13-24)25(31)12-21-10-9-19(2)27-14-21;1-16-5-6-17(13-27-16)9-23(31)19-3-2-4-21(11-19)30-15-18(14-28-30)10-25-29-22-8-7-20(26)12-24(22)32-25;1-17-9-10-18(14-26-17)11-24(31)20-5-4-6-21(13-20)30-16-19(15-27-30)12-25-28-22-7-2-3-8-23(22)29-25;1-17-9-10-18(14-26-17)11-23(30)20-5-4-6-21(13-20)29-16-19(15-27-29)12-25-28-22-7-2-3-8-24(22)31-25/h2-10,13-16,31H,11-12H2,1H3;2-11,14-17,30H,12-13H2,1H3;3-11,13-14,16-17H,12,15H2,1-2H3,(H,28,32);2-8,11-15H,9-10H2,1H3;2-10,13-16H,11-12H2,1H3,(H,28,29);2-10,13-16H,11-12H2,1H3.
What are the key properties of 1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide?
1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 2602.47 g/mol, XLogP of 29.72, 39 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1H-benzimidazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-(1,3-benzothiazol-2-ylmethyl)pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]pyrazol-1-yl]phenyl]-2-(6-methyl-3-pyridinyl)ethanone;1-[3-[4-[2-(1H-indol-2-yl)-2-oxoethyl]pyrazol-1-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;N-[(3-methylphenyl)methyl]-1-[3-[2-(6-methyl-3-pyridinyl)acetyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 162170705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).