2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone

C175H174F3N29O14S — CID 158822474

IUPAC2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone
SMILESCCNC(=O)[C@@H]1CC[C@@H](CC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)CN1Cc1ccccc1.CNC(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)CN1Cc1c(F)cccc1OC.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)CC[C@H]1C(=O)N(C)C.O=C(C[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(C[C@@H]1CCCN(c2ccnc3cccc(F)c23)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(C[C@@H]1CC[C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C34H33N5O2.C29H31FN6O3.C29H25FN4O.C29H31N5O2.C28H29FN6O3.C26H25N3O3S/c40-32(28-12-13-30-29(20-28)33(38-37-30)27-15-17-35-18-16-27)19-26-11-14-31(34(41)36-21-24-7-3-1-4-8-24)39(23-26)22-25-9-5-2-6-10-25;1-35(2)29(38)25-10-8-20(16-36(25)17-22-23(30)5-4-6-26(22)39-3)32-28(37)19-7-9-24-21(15-19)27(34-33-24)18-11-13-31-14-12-18;30-24-4-1-5-25-28(24)26(10-13-32-25)34-14-2-3-19(18-34)15-27(35)21-6-7-22-17-33-29(23(22)16-21)20-8-11-31-12-9-20;1-2-31-29(36)26-11-8-21(19-34(26)18-20-6-4-3-5-7-20)16-27(35)23-9-10-25-24(17-23)28(33-32-25)22-12-14-30-15-13-22;1-30-28(37)24-9-7-19(15-35(24)16-21-22(29)4-3-5-25(21)38-2)32-27(36)18-6-8-23-20(14-18)26(34-33-23)17-10-12-31-13-11-17;30-25(15-19-5-4-14-29(18-19)33(31,32)23-6-2-1-3-7-23)21-8-9-22-17-28-26(24(22)16-21)20-10-12-27-13-11-20/h1-10,12-13,15-18,20,26,31H,11,14,19,21-23H2,(H,36,41)(H,37,38);4-7,9,11-15,20,25H,8,10,16-17H2,1-3H3,(H,32,37)(H,33,34);1,4-13,16,19H,2-3,14-15,17-18H2;3-7,9-10,12-15,17,21,26H,2,8,11,16,18-19H2,1H3,(H,31,36)(H,32,33);3-6,8,10-14,19,24H,7,9,15-16H2,1-2H3,(H,30,37)(H,32,36)(H,33,34);1-3,6-13,16,19H,4-5,14-15,17-18H2/t26-,31-;20-,25+;19-;21-,26-;19-,24+;19-/m010010/s1
InChIKeyIWAWBYLWRWCXCH-JEQGWRHVSA-N
MW2996.57 g/mol
LogP27.03
Rot. Bonds42

About 2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone

2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone (PubChem CID 158822474) has the molecular formula C175H174F3N29O14S and a molecular weight of 2996.57 g/mol. Its IUPAC name is 2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone.

Molecular Properties

Compound Name2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone
PubChem CID158822474
Molecular FormulaC175H174F3N29O14S
Molecular Weight2996.57 g/mol
Exact Mass2994.35
IUPAC Name2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone
SMILESCCNC(=O)[C@@H]1CC[C@@H](CC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)CN1Cc1ccccc1.CNC(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)CN1Cc1c(F)cccc1OC.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)CC[C@H]1C(=O)N(C)C.O=C(C[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(C[C@@H]1CCCN(c2ccnc3cccc(F)c23)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(C[C@@H]1CC[C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C34H33N5O2.C29H31FN6O3.C29H25FN4O.C29H31N5O2.C28H29FN6O3.C26H25N3O3S/c40-32(28-12-13-30-29(20-28)33(38-37-30)27-15-17-35-18-16-27)19-26-11-14-31(34(41)36-21-24-7-3-1-4-8-24)39(23-26)22-25-9-5-2-6-10-25;1-35(2)29(38)25-10-8-20(16-36(25)17-22-23(30)5-4-6-26(22)39-3)32-28(37)19-7-9-24-21(15-19)27(34-33-24)18-11-13-31-14-12-18;30-24-4-1-5-25-28(24)26(10-13-32-25)34-14-2-3-19(18-34)15-27(35)21-6-7-22-17-33-29(23(22)16-21)20-8-11-31-12-9-20;1-2-31-29(36)26-11-8-21(19-34(26)18-20-6-4-3-5-7-20)16-27(35)23-9-10-25-24(17-23)28(33-32-25)22-12-14-30-15-13-22;1-30-28(37)24-9-7-19(15-35(24)16-21-22(29)4-3-5-25(21)38-2)32-27(36)18-6-8-23-20(14-18)26(34-33-23)17-10-12-31-13-11-17;30-25(15-19-5-4-14-29(18-19)33(31,32)23-6-2-1-3-7-23)21-8-9-22-17-28-26(24(22)16-21)20-10-12-27-13-11-20/h1-10,12-13,15-18,20,26,31H,11,14,19,21-23H2,(H,36,41)(H,37,38);4-7,9,11-15,20,25H,8,10,16-17H2,1-3H3,(H,32,37)(H,33,34);1,4-13,16,19H,2-3,14-15,17-18H2;3-7,9-10,12-15,17,21,26H,2,8,11,16,18-19H2,1H3,(H,31,36)(H,32,33);3-6,8,10-14,19,24H,7,9,15-16H2,1-2H3,(H,30,37)(H,32,36)(H,33,34);1-3,6-13,16,19H,4-5,14-15,17-18H2/t26-,31-;20-,25+;19-;21-,26-;19-,24+;19-/m010010/s1
InChIKeyIWAWBYLWRWCXCH-JEQGWRHVSA-N
XLogP27.03
TPSA535.80 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds42
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002996.57
LogP ≤ 527.03
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Analyze 2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
CID 157372966
N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[1-(3-phenylpropyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 157414431
(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(2-cyclopropylacetyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-fluoro-5-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]acetamide
CID 157549720
1-[3-(1,3-benzothiazol-6-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;2-[(3S)-1-[2,2-difluoro-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-(2-fluoro-2-phenylpropyl)piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[1-[2-(3-methylphenyl)ethyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[1-(2-naphthalen-1-ylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 158416048
1-[3-(1,3-benzothiazol-6-yl)-1H-isoindol-5-yl]-2-[(3R,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(hydroxymethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 159009277
1-[(2-fluoro-6-methoxyphenyl)methyl]-3-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidin-2-one;bis(1-(2-fluorophenyl)-1-[(3S)-3-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidin-1-yl]propan-2-one);2-[1-[(2-isocyanophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-1-ium-4-yl-1H-indazol-5-yl)ethanone;2-(1-phenylpiperidin-3-yl)-1-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;2,2,2-trifluoroacetate
CID 159155140
N-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone
CID 159267533
(4R)-4-[3-[3-(2-cyclopropylacetyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;3-fluoro-5-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 159518296
1-[3-(2,1,3-benzothiadiazol-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;methyl (2R,5S)-1-benzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxylate;N-[1-[2-(4-methylphenyl)ethyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-(1-phenacylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 159551286
N-[(3R,6S)-6-(4-acetylpiperazine-1-carbonyl)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;(2S,5S)-N-(2,2-difluoropropyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidine-2-carboxamide;(2S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]-N-propylpiperidine-2-carboxamide
CID 159608900
tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;(2S,5S)-N-(2,2-difluoropropyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-inden-5-yl]-2-oxoethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(methylcarbamothioylamino)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;(2S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-inden-5-yl]-2-oxoethyl]-N-propylpiperidine-2-carboxamide
CID 159774824
benzyl (5R)-3,3-difluoro-5-[4-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-1-yl]piperidine-1-carboxylate;5-[1-[(3R)-1-[[2-(1,1-difluoroethoxy)phenyl]methyl]piperidin-3-yl]triazol-4-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole;(5R)-1-[(2-fluoro-6-methylphenyl)methyl]-5-[4-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]triazol-1-yl]piperidin-2-one;(2-fluorophenyl)-[(3R)-3-[4-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 160179429

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone?
The IUPAC name of 2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone (CID 158822474) is 2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone.
What is the SMILES notation for 2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone?
The canonical SMILES for 2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone is CCNC(=O)[C@@H]1CC[C@@H](CC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)CN1Cc1ccccc1.CNC(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)CN1Cc1c(F)cccc1OC.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)CC[C@H]1C(=O)N(C)C.O=C(C[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(C[C@@H]1CCCN(c2ccnc3cccc(F)c23)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(C[C@@H]1CC[C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of 2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone?
The InChIKey is IWAWBYLWRWCXCH-JEQGWRHVSA-N. The full InChI is InChI=1S/C34H33N5O2.C29H31FN6O3.C29H25FN4O.C29H31N5O2.C28H29FN6O3.C26H25N3O3S/c40-32(28-12-13-30-29(20-28)33(38-37-30)27-15-17-35-18-16-27)19-26-11-14-31(34(41)36-21-24-7-3-1-4-8-24)39(23-26)22-25-9-5-2-6-10-25;1-35(2)29(38)25-10-8-20(16-36(25)17-22-23(30)5-4-6-26(22)39-3)32-28(37)19-7-9-24-21(15-19)27(34-33-24)18-11-13-31-14-12-18;30-24-4-1-5-25-28(24)26(10-13-32-25)34-14-2-3-19(18-34)15-27(35)21-6-7-22-17-33-29(23(22)16-21)20-8-11-31-12-9-20;1-2-31-29(36)26-11-8-21(19-34(26)18-20-6-4-3-5-7-20)16-27(35)23-9-10-25-24(17-23)28(33-32-25)22-12-14-30-15-13-22;1-30-28(37)24-9-7-19(15-35(24)16-21-22(29)4-3-5-25(21)38-2)32-27(36)18-6-8-23-20(14-18)26(34-33-23)17-10-12-31-13-11-17;30-25(15-19-5-4-14-29(18-19)33(31,32)23-6-2-1-3-7-23)21-8-9-22-17-28-26(24(22)16-21)20-10-12-27-13-11-20/h1-10,12-13,15-18,20,26,31H,11,14,19,21-23H2,(H,36,41)(H,37,38);4-7,9,11-15,20,25H,8,10,16-17H2,1-3H3,(H,32,37)(H,33,34);1,4-13,16,19H,2-3,14-15,17-18H2;3-7,9-10,12-15,17,21,26H,2,8,11,16,18-19H2,1H3,(H,31,36)(H,32,33);3-6,8,10-14,19,24H,7,9,15-16H2,1-2H3,(H,30,37)(H,32,36)(H,33,34);1-3,6-13,16,19H,4-5,14-15,17-18H2/t26-,31-;20-,25+;19-;21-,26-;19-,24+;19-/m010010/s1.
What are the key properties of 2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone?
2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone has a molecular weight of 2996.57 g/mol, XLogP of 27.03, 42 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone is sourced from PubChem (CID 158822474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).