1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone

C153H150F9N23O12 — CID 159356126

IUPAC1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone
SMILESCOc1cccc(F)c1CN1C[C@@H](C)C[C@@H](CC(=O)c2ccc3[nH]nc(-c4ccc5nonc5c4)c3c2)C1.COc1cccc(F)c1CN1C[C@@H](C)C[C@@H](CC(=O)c2ccc3c(c2)C(c2ccn4ncnc4c2)=NC3)C1.COc1cccc(F)c1CN1C[C@@H](CC(=O)c2ccc3c(c2)C(c2ccc4nn(C)cc4c2)=NC3)C[C@@H](C(C)(F)F)C1.COc1cccc(F)c1CN1C[C@H](C)C[C@@H](CC(=O)c2ccc3[nH]nc(-c4ccc5nonc5c4)c3c2)C1.COc1cccc(F)c1CN1C[C@H](CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)C[C@H](C(C)(F)F)C1
InChIInChI=1S/C33H33F3N4O2.C32H31F3N4O2.C30H30FN5O2.2C29H28FN5O3/c1-33(35,36)25-11-20(16-40(18-25)19-27-28(34)5-4-6-31(27)42-3)12-30(41)21-7-8-23-15-37-32(26(23)14-21)22-9-10-29-24(13-22)17-39(2)38-29;1-32(34,35)24-12-20(16-38(18-24)19-26-27(33)4-3-5-29(26)41-2)13-28(40)21-6-7-22-15-37-31(25(22)14-21)23-8-9-30-36-10-11-39(30)17-23;1-19-10-20(16-35(15-19)17-25-26(31)4-3-5-28(25)38-2)11-27(37)21-6-7-23-14-32-30(24(23)12-21)22-8-9-36-29(13-22)33-18-34-36;2*1-17-10-18(15-35(14-17)16-22-23(30)4-3-5-28(22)37-2)11-27(36)19-6-8-24-21(12-19)29(32-31-24)20-7-9-25-26(13-20)34-38-33-25/h4-10,13-14,17,20,25H,11-12,15-16,18-19H2,1-3H3;3-11,14,17,20,24H,12-13,15-16,18-19H2,1-2H3;3-9,12-13,18-20H,10-11,14-17H2,1-2H3;2*3-9,12-13,17-18H,10-11,14-16H2,1-2H3,(H,31,32)/t20-,25-;20-,24-;19-,20-;17-,18+;17-,18-/m10010/s1
InChIKeyLHYCDSMFARKDMD-YXYREZJPSA-N
MW2674.01 g/mol
LogP28.89
Rot. Bonds37

About 1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone

1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone (PubChem CID 159356126) has the molecular formula C153H150F9N23O12 and a molecular weight of 2674.01 g/mol. Its IUPAC name is 1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone
PubChem CID159356126
Molecular FormulaC153H150F9N23O12
Molecular Weight2674.01 g/mol
Exact Mass2672.17
IUPAC Name1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone
SMILESCOc1cccc(F)c1CN1C[C@@H](C)C[C@@H](CC(=O)c2ccc3[nH]nc(-c4ccc5nonc5c4)c3c2)C1.COc1cccc(F)c1CN1C[C@@H](C)C[C@@H](CC(=O)c2ccc3c(c2)C(c2ccn4ncnc4c2)=NC3)C1.COc1cccc(F)c1CN1C[C@@H](CC(=O)c2ccc3c(c2)C(c2ccc4nn(C)cc4c2)=NC3)C[C@@H](C(C)(F)F)C1.COc1cccc(F)c1CN1C[C@H](C)C[C@@H](CC(=O)c2ccc3[nH]nc(-c4ccc5nonc5c4)c3c2)C1.COc1cccc(F)c1CN1C[C@H](CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)C[C@H](C(C)(F)F)C1
InChIInChI=1S/C33H33F3N4O2.C32H31F3N4O2.C30H30FN5O2.2C29H28FN5O3/c1-33(35,36)25-11-20(16-40(18-25)19-27-28(34)5-4-6-31(27)42-3)12-30(41)21-7-8-23-15-37-32(26(23)14-21)22-9-10-29-24(13-22)17-39(2)38-29;1-32(34,35)24-12-20(16-38(18-24)19-26-27(33)4-3-5-29(26)41-2)13-28(40)21-6-7-22-15-37-31(25(22)14-21)23-8-9-30-36-10-11-39(30)17-23;1-19-10-20(16-35(15-19)17-25-26(31)4-3-5-28(25)38-2)11-27(37)21-6-7-23-14-32-30(24(23)12-21)22-8-9-36-29(13-22)33-18-34-36;2*1-17-10-18(15-35(14-17)16-22-23(30)4-3-5-28(22)37-2)11-27(36)19-6-8-24-21(12-19)29(32-31-24)20-7-9-25-26(13-20)34-38-33-25/h4-10,13-14,17,20,25H,11-12,15-16,18-19H2,1-3H3;3-11,14,17,20,24H,12-13,15-16,18-19H2,1-2H3;3-9,12-13,18-20H,10-11,14-17H2,1-2H3;2*3-9,12-13,17-18H,10-11,14-16H2,1-2H3,(H,31,32)/t20-,25-;20-,24-;19-,20-;17-,18+;17-,18-/m10010/s1
InChIKeyLHYCDSMFARKDMD-YXYREZJPSA-N
XLogP28.89
TPSA385.29 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds37
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002674.01
LogP ≤ 528.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Analyze 1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone with MolForge

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Related Compounds

1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;2-(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N,N-dimethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-methylidenepiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indazol-5-yl]ethanone
CID 157191275
2-(2-acetylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157230794
N-[3-[[2-(furan-3-yl)-9-methylpurin-6-yl]amino]-4-methylphenyl]-3-(trifluoromethoxy)benzamide;N-[4-methyl-3-[(9-methyl-2-pyridin-4-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide;4-methyl-3-[[2-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157248494
3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-6-methyl-1,2-benzoxazole;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-1,2-benzoxazole;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-1,2-benzoxazole;2-methyl-2-[3-[[6-methyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile
CID 157372870
(2,3-difluoro-4-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2,6-difluoro-3-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;3-fluoro-4-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[5-fluoro-2-(trifluoromethoxy)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indazol-7-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone
CID 157623645
methyl 2-[[2-fluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indazol-6-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(2-methoxy-3-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1R)-1-phenylethoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1S)-1-phenylethoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 157634809
3-(1,1-difluoro-2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-ethylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine
CID 157662930
N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;methyl (2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]piperidine-2-carboxylate
CID 157900166
6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;methane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 157938251
N-[4-(difluoromethoxy)phenyl]-4-fluoro-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethyl)phenyl]pyrazin-2-amine;4-[[6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzaldehyde;6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 157993298
N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2,6-difluorophenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone
CID 158514954
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[2-(5,6-difluoro-1H-indol-3-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(4-methyl-1H-indol-3-yl)acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158559356

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone?
The IUPAC name of 1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone (CID 159356126) is 1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone?
The canonical SMILES for 1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone is COc1cccc(F)c1CN1C[C@@H](C)C[C@@H](CC(=O)c2ccc3[nH]nc(-c4ccc5nonc5c4)c3c2)C1.COc1cccc(F)c1CN1C[C@@H](C)C[C@@H](CC(=O)c2ccc3c(c2)C(c2ccn4ncnc4c2)=NC3)C1.COc1cccc(F)c1CN1C[C@@H](CC(=O)c2ccc3c(c2)C(c2ccc4nn(C)cc4c2)=NC3)C[C@@H](C(C)(F)F)C1.COc1cccc(F)c1CN1C[C@H](C)C[C@@H](CC(=O)c2ccc3[nH]nc(-c4ccc5nonc5c4)c3c2)C1.COc1cccc(F)c1CN1C[C@H](CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)C[C@H](C(C)(F)F)C1.
What is the InChIKey of 1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone?
The InChIKey is LHYCDSMFARKDMD-YXYREZJPSA-N. The full InChI is InChI=1S/C33H33F3N4O2.C32H31F3N4O2.C30H30FN5O2.2C29H28FN5O3/c1-33(35,36)25-11-20(16-40(18-25)19-27-28(34)5-4-6-31(27)42-3)12-30(41)21-7-8-23-15-37-32(26(23)14-21)22-9-10-29-24(13-22)17-39(2)38-29;1-32(34,35)24-12-20(16-38(18-24)19-26-27(33)4-3-5-29(26)41-2)13-28(40)21-6-7-22-15-37-31(25(22)14-21)23-8-9-30-36-10-11-39(30)17-23;1-19-10-20(16-35(15-19)17-25-26(31)4-3-5-28(25)38-2)11-27(37)21-6-7-23-14-32-30(24(23)12-21)22-8-9-36-29(13-22)33-18-34-36;2*1-17-10-18(15-35(14-17)16-22-23(30)4-3-5-28(22)37-2)11-27(36)19-6-8-24-21(12-19)29(32-31-24)20-7-9-25-26(13-20)34-38-33-25/h4-10,13-14,17,20,25H,11-12,15-16,18-19H2,1-3H3;3-11,14,17,20,24H,12-13,15-16,18-19H2,1-2H3;3-9,12-13,18-20H,10-11,14-17H2,1-2H3;2*3-9,12-13,17-18H,10-11,14-16H2,1-2H3,(H,31,32)/t20-,25-;20-,24-;19-,20-;17-,18+;17-,18-/m10010/s1.
What are the key properties of 1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone?
1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone has a molecular weight of 2674.01 g/mol, XLogP of 28.89, 37 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone is sourced from PubChem (CID 159356126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).