2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone

C154H156F5N17O7 — CID 159882342

IUPAC2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
SMILESCOc1cccc(F)c1CN1C[C@@H]2CC(CC(=O)c3ccc4c(c3)C(c3ccc5nn(C)cc5c3)=NC4)[C@H]1C2.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(CC(=O)c5ccccc5C)C4)cc32)ccn1.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(CCc5ccccc5C(C)(F)F)C4)cc32)ccn1.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(CCc5ccccc5C)C4)cc32)ccn1.Cn1cc2cc(C3=NCc4ccc(C(=O)CC5C[C@@H]6C[C@H]5N(Cc5c(F)cccc5F)C6)cc43)ccc2n1
InChIInChI=1S/C32H31FN4O2.C31H28F2N4O.C31H33F2N3O.C30H31N3O2.C30H33N3O/c1-36-17-24-12-21(8-9-28(24)35-36)32-25-13-20(6-7-22(25)15-34-32)30(38)14-23-10-19-11-29(23)37(16-19)18-26-27(33)4-3-5-31(26)39-2;1-36-16-23-11-20(7-8-28(23)35-36)31-24-12-19(5-6-21(24)14-34-31)30(38)13-22-9-18-10-29(22)37(15-18)17-25-26(32)3-2-4-27(25)33;1-21-16-25(11-13-34-21)30-27-18-24(9-10-26(27)19-35-30)29(37)17-22-6-5-14-36(20-22)15-12-23-7-3-4-8-28(23)31(2,32)33;1-20-6-3-4-8-26(20)29(35)19-33-13-5-7-22(18-33)15-28(34)23-9-10-25-17-32-30(27(25)16-23)24-11-12-31-21(2)14-24;1-21-6-3-4-8-24(21)12-15-33-14-5-7-23(20-33)17-29(34)25-9-10-27-19-32-30(28(27)18-25)26-11-13-31-22(2)16-26/h3-9,12-13,17,19,23,29H,10-11,14-16,18H2,1-2H3;2-8,11-12,16,18,22,29H,9-10,13-15,17H2,1H3;3-4,7-11,13,16,18,22H,5-6,12,14-15,17,19-20H2,1-2H3;3-4,6,8-12,14,16,22H,5,7,13,15,17-19H2,1-2H3;3-4,6,8-11,13,16,18,23H,5,7,12,14-15,17,19-20H2,1-2H3/t19-,23?,29-;18-,22?,29-;2*22-;23-/m11000/s1
InChIKeyNTRISSQFXZOBDI-RYZDPBKASA-N
MW2452.04 g/mol
LogP28.42
Rot. Bonds35

About 2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone

2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone (PubChem CID 159882342) has the molecular formula C154H156F5N17O7 and a molecular weight of 2452.04 g/mol. Its IUPAC name is 2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone.

Molecular Properties

Compound Name2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
PubChem CID159882342
Molecular FormulaC154H156F5N17O7
Molecular Weight2452.04 g/mol
Exact Mass2450.23
IUPAC Name2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
SMILESCOc1cccc(F)c1CN1C[C@@H]2CC(CC(=O)c3ccc4c(c3)C(c3ccc5nn(C)cc5c3)=NC4)[C@H]1C2.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(CC(=O)c5ccccc5C)C4)cc32)ccn1.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(CCc5ccccc5C(C)(F)F)C4)cc32)ccn1.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(CCc5ccccc5C)C4)cc32)ccn1.Cn1cc2cc(C3=NCc4ccc(C(=O)CC5C[C@@H]6C[C@H]5N(Cc5c(F)cccc5F)C6)cc43)ccc2n1
InChIInChI=1S/C32H31FN4O2.C31H28F2N4O.C31H33F2N3O.C30H31N3O2.C30H33N3O/c1-36-17-24-12-21(8-9-28(24)35-36)32-25-13-20(6-7-22(25)15-34-32)30(38)14-23-10-19-11-29(23)37(16-19)18-26-27(33)4-3-5-31(26)39-2;1-36-16-23-11-20(7-8-28(23)35-36)31-24-12-19(5-6-21(24)14-34-31)30(38)13-22-9-18-10-29(22)37(15-18)17-25-26(32)3-2-4-27(25)33;1-21-16-25(11-13-34-21)30-27-18-24(9-10-26(27)19-35-30)29(37)17-22-6-5-14-36(20-22)15-12-23-7-3-4-8-28(23)31(2,32)33;1-20-6-3-4-8-26(20)29(35)19-33-13-5-7-22(18-33)15-28(34)23-9-10-25-17-32-30(27(25)16-23)24-11-12-31-21(2)14-24;1-21-6-3-4-8-24(21)12-15-33-14-5-7-23(20-33)17-29(34)25-9-10-27-19-32-30(28(27)18-25)26-11-13-31-22(2)16-26/h3-9,12-13,17,19,23,29H,10-11,14-16,18H2,1-2H3;2-8,11-12,16,18,22,29H,9-10,13-15,17H2,1H3;3-4,7-11,13,16,18,22H,5-6,12,14-15,17,19-20H2,1-2H3;3-4,6,8-12,14,16,22H,5,7,13,15,17-19H2,1-2H3;3-4,6,8-11,13,16,18,23H,5,7,12,14-15,17,19-20H2,1-2H3/t19-,23?,29-;18-,22?,29-;2*22-;23-/m11000/s1
InChIKeyNTRISSQFXZOBDI-RYZDPBKASA-N
XLogP28.42
TPSA263.96 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002452.04
LogP ≤ 528.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-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
6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one
CID 157460343
(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
2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R,6S)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
CID 158348187
2-[(1R,4R,6S)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone
CID 158348190
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
CID 158414477
8-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;8-[1-(3-fluoro-4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-(4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
CID 158529040
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
1-[7-[(6-Cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide
CID 159185563
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
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-methoxy-5-methyl-3H-inden-1-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one
CID 159698683

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone?
The IUPAC name of 2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone (CID 159882342) is 2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone.
What is the SMILES notation for 2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone?
The canonical SMILES for 2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone is COc1cccc(F)c1CN1C[C@@H]2CC(CC(=O)c3ccc4c(c3)C(c3ccc5nn(C)cc5c3)=NC4)[C@H]1C2.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(CC(=O)c5ccccc5C)C4)cc32)ccn1.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(CCc5ccccc5C(C)(F)F)C4)cc32)ccn1.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(CCc5ccccc5C)C4)cc32)ccn1.Cn1cc2cc(C3=NCc4ccc(C(=O)CC5C[C@@H]6C[C@H]5N(Cc5c(F)cccc5F)C6)cc43)ccc2n1.
What is the InChIKey of 2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone?
The InChIKey is NTRISSQFXZOBDI-RYZDPBKASA-N. The full InChI is InChI=1S/C32H31FN4O2.C31H28F2N4O.C31H33F2N3O.C30H31N3O2.C30H33N3O/c1-36-17-24-12-21(8-9-28(24)35-36)32-25-13-20(6-7-22(25)15-34-32)30(38)14-23-10-19-11-29(23)37(16-19)18-26-27(33)4-3-5-31(26)39-2;1-36-16-23-11-20(7-8-28(23)35-36)31-24-12-19(5-6-21(24)14-34-31)30(38)13-22-9-18-10-29(22)37(15-18)17-25-26(32)3-2-4-27(25)33;1-21-16-25(11-13-34-21)30-27-18-24(9-10-26(27)19-35-30)29(37)17-22-6-5-14-36(20-22)15-12-23-7-3-4-8-28(23)31(2,32)33;1-20-6-3-4-8-26(20)29(35)19-33-13-5-7-22(18-33)15-28(34)23-9-10-25-17-32-30(27(25)16-23)24-11-12-31-21(2)14-24;1-21-6-3-4-8-24(21)12-15-33-14-5-7-23(20-33)17-29(34)25-9-10-27-19-32-30(28(27)18-25)26-11-13-31-22(2)16-26/h3-9,12-13,17,19,23,29H,10-11,14-16,18H2,1-2H3;2-8,11-12,16,18,22,29H,9-10,13-15,17H2,1H3;3-4,7-11,13,16,18,22H,5-6,12,14-15,17,19-20H2,1-2H3;3-4,6,8-12,14,16,22H,5,7,13,15,17-19H2,1-2H3;3-4,6,8-11,13,16,18,23H,5,7,12,14-15,17,19-20H2,1-2H3/t19-,23?,29-;18-,22?,29-;2*22-;23-/m11000/s1.
What are the key properties of 2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone?
2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone has a molecular weight of 2452.04 g/mol, XLogP of 28.42, 35 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(1R,4R)-2-[(2-fluoro-6-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[2-(2-methylphenyl)-2-oxoethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone is sourced from PubChem (CID 159882342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).