2-[(3,3-difluorocyclobutyl)methyl]-5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzamide;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylquinazolin-4-one;5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one;2-methyl-5-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one

C149H130F13N15O12 — CID 163994200

IUPAC2-[(3,3-difluorocyclobutyl)methyl]-5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzamide;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylquinazolin-4-one;5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one;2-methyl-5-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one
SMILESCN1Cc2cc(-c3cccc4cc(C(=O)N5CCCCC5)ccc34)ccc2C1=O.CN1Cc2cc(-c3ccnc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ccc2C1=O.Cn1cnc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ccc2c1=O.NC(=O)c1ccc(-c2cccc3cc(C(=O)N4CCC(F)(F)CC4)ccc23)cc1F.O=C(c1ccc2c(-c3ccc4c(c3)CN(CC3CC(F)(F)C3)C4=O)cccc2c1)N1CCC(F)(F)CC1.O=C1NCc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ncc21
InChIInChI=1S/C29H26F4N2O2.C25H21F2N3O2.C25H24N2O2.C24H21F2N3O2.C23H19F3N2O2.C23H19F2N3O2/c30-28(31)8-10-34(11-9-28)26(36)21-5-6-24-19(12-21)2-1-3-23(24)20-4-7-25-22(13-20)17-35(27(25)37)16-18-14-29(32,33)15-18;1-29-15-28-22-14-17(5-8-21(22)24(29)32)19-4-2-3-16-13-18(6-7-20(16)19)23(31)30-11-9-25(26,27)10-12-30;1-26-16-20-15-18(8-11-23(20)25(26)29)21-7-5-6-17-14-19(9-10-22(17)21)24(28)27-12-3-2-4-13-27;1-28-14-17-12-15(2-4-19(17)23(28)31)18-6-9-27-21-13-16(3-5-20(18)21)22(30)29-10-7-24(25,26)8-11-29;24-20-13-15(4-7-19(20)21(27)29)17-3-1-2-14-12-16(5-6-18(14)17)22(30)28-10-8-23(25,26)9-11-28;24-23(25)6-8-28(9-7-23)22(30)15-4-5-17-14(10-15)2-1-3-18(17)20-11-16-12-27-21(29)19(16)13-26-20/h1-7,12-13,18H,8-11,14-17H2;2-8,13-15H,9-12H2,1H3;5-11,14-15H,2-4,12-13,16H2,1H3;2-6,9,12-13H,7-8,10-11,14H2,1H3;1-7,12-13H,8-11H2,(H2,27,29);1-5,10-11,13H,6-9,12H2,(H,27,29)
InChIKeyUDGUNKFRENXHLK-UHFFFAOYSA-N
MW2569.75 g/mol
LogP28.71
Rot. Bonds15

About 2-[(3,3-difluorocyclobutyl)methyl]-5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzamide;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylquinazolin-4-one;5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one;2-methyl-5-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one

2-[(3,3-difluorocyclobutyl)methyl]-5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzamide;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylquinazolin-4-one;5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one;2-methyl-5-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one (PubChem CID 163994200) has the molecular formula C149H130F13N15O12 and a molecular weight of 2569.75 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclobutyl)methyl]-5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzamide;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylquinazolin-4-one;5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one;2-methyl-5-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(3,3-difluorocyclobutyl)methyl]-5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzamide;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylquinazolin-4-one;5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one;2-methyl-5-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one
PubChem CID163994200
Molecular FormulaC149H130F13N15O12
Molecular Weight2569.75 g/mol
Exact Mass2567.98
IUPAC Name2-[(3,3-difluorocyclobutyl)methyl]-5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzamide;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylquinazolin-4-one;5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one;2-methyl-5-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one
SMILESCN1Cc2cc(-c3cccc4cc(C(=O)N5CCCCC5)ccc34)ccc2C1=O.CN1Cc2cc(-c3ccnc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ccc2C1=O.Cn1cnc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ccc2c1=O.NC(=O)c1ccc(-c2cccc3cc(C(=O)N4CCC(F)(F)CC4)ccc23)cc1F.O=C(c1ccc2c(-c3ccc4c(c3)CN(CC3CC(F)(F)C3)C4=O)cccc2c1)N1CCC(F)(F)CC1.O=C1NCc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ncc21
InChIInChI=1S/C29H26F4N2O2.C25H21F2N3O2.C25H24N2O2.C24H21F2N3O2.C23H19F3N2O2.C23H19F2N3O2/c30-28(31)8-10-34(11-9-28)26(36)21-5-6-24-19(12-21)2-1-3-23(24)20-4-7-25-22(13-20)17-35(27(25)37)16-18-14-29(32,33)15-18;1-29-15-28-22-14-17(5-8-21(22)24(29)32)19-4-2-3-16-13-18(6-7-20(16)19)23(31)30-11-9-25(26,27)10-12-30;1-26-16-20-15-18(8-11-23(20)25(26)29)21-7-5-6-17-14-19(9-10-22(17)21)24(28)27-12-3-2-4-13-27;1-28-14-17-12-15(2-4-19(17)23(28)31)18-6-9-27-21-13-16(3-5-20(18)21)22(30)29-10-7-24(25,26)8-11-29;24-20-13-15(4-7-19(20)21(27)29)17-3-1-2-14-12-16(5-6-18(14)17)22(30)28-10-8-23(25,26)9-11-28;24-23(25)6-8-28(9-7-23)22(30)15-4-5-17-14(10-15)2-1-3-18(17)20-11-16-12-27-21(29)19(16)13-26-20/h1-7,12-13,18H,8-11,14-17H2;2-8,13-15H,9-12H2,1H3;5-11,14-15H,2-4,12-13,16H2,1H3;2-6,9,12-13H,7-8,10-11,14H2,1H3;1-7,12-13H,8-11H2,(H2,27,29);1-5,10-11,13H,6-9,12H2,(H,27,29)
InChIKeyUDGUNKFRENXHLK-UHFFFAOYSA-N
XLogP28.71
TPSA315.65 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002569.75
LogP ≤ 528.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 2-[(3,3-difluorocyclobutyl)methyl]-5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzamide;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylquinazolin-4-one;5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one;2-methyl-5-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one with MolForge

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Related Compounds

1-[[7-(difluoromethyl)-1-[1-ethyl-3-(methylcarbamoyl)indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methylindole-3-carboxamide
CID 132181495
(4R)-1-[5-(aminomethyl)-3H-inden-1-yl]-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157264500
5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(3-acetylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-1-[[2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157268135
2,2-difluoropropanoic acid;(4R)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 157306452
2-(7-ethyl-1H-indol-3-yl)quinoline;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;1-[2-(5-fluoro-6-methyl-1H-indol-3-yl)quinolin-5-yl]propan-1-one;1-[2-(5-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]propan-1-one;1-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]propan-1-one;2-(7-methyl-1H-indol-3-yl)-5-(trifluoromethyl)quinoline;6-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline
CID 157606243
(4R)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;bis(4-(4-fluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-2,8-diazaspiro[4.5]decan-1-one);4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;methane;hexakis(2,2,2-trifluoroacetic acid)
CID 157674471
tetrakis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 157805415
4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-[(2R)-2-methyl-4-oxo-4-quinolin-3-ylbutyl]-2,8-diazaspiro[4.5]decan-1-one;bis(4-(4-fluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-2,8-diazaspiro[4.5]decan-1-one);pentakis(2,2,2-trifluoroacetic acid)
CID 157859796
8-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3-isocyanophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-8-yl]benzamide;8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one
CID 158218629
5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide
CID 158280411
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-4-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 158345019
4-[1-[2,4-Bis(trifluoromethyl)phenyl]-8-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[2-[2,4-bis(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-(4,5-dipyridin-2-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione
CID 158725657

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclobutyl)methyl]-5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzamide;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylquinazolin-4-one;5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one;2-methyl-5-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one?
The IUPAC name of 2-[(3,3-difluorocyclobutyl)methyl]-5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzamide;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylquinazolin-4-one;5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one;2-methyl-5-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one (CID 163994200) is 2-[(3,3-difluorocyclobutyl)methyl]-5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzamide;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylquinazolin-4-one;5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one;2-methyl-5-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[(3,3-difluorocyclobutyl)methyl]-5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzamide;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylquinazolin-4-one;5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one;2-methyl-5-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-[(3,3-difluorocyclobutyl)methyl]-5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzamide;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylquinazolin-4-one;5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one;2-methyl-5-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one is CN1Cc2cc(-c3cccc4cc(C(=O)N5CCCCC5)ccc34)ccc2C1=O.CN1Cc2cc(-c3ccnc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ccc2C1=O.Cn1cnc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ccc2c1=O.NC(=O)c1ccc(-c2cccc3cc(C(=O)N4CCC(F)(F)CC4)ccc23)cc1F.O=C(c1ccc2c(-c3ccc4c(c3)CN(CC3CC(F)(F)C3)C4=O)cccc2c1)N1CCC(F)(F)CC1.O=C1NCc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ncc21.
What is the InChIKey of 2-[(3,3-difluorocyclobutyl)methyl]-5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzamide;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylquinazolin-4-one;5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one;2-methyl-5-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one?
The InChIKey is UDGUNKFRENXHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F4N2O2.C25H21F2N3O2.C25H24N2O2.C24H21F2N3O2.C23H19F3N2O2.C23H19F2N3O2/c30-28(31)8-10-34(11-9-28)26(36)21-5-6-24-19(12-21)2-1-3-23(24)20-4-7-25-22(13-20)17-35(27(25)37)16-18-14-29(32,33)15-18;1-29-15-28-22-14-17(5-8-21(22)24(29)32)19-4-2-3-16-13-18(6-7-20(16)19)23(31)30-11-9-25(26,27)10-12-30;1-26-16-20-15-18(8-11-23(20)25(26)29)21-7-5-6-17-14-19(9-10-22(17)21)24(28)27-12-3-2-4-13-27;1-28-14-17-12-15(2-4-19(17)23(28)31)18-6-9-27-21-13-16(3-5-20(18)21)22(30)29-10-7-24(25,26)8-11-29;24-20-13-15(4-7-19(20)21(27)29)17-3-1-2-14-12-16(5-6-18(14)17)22(30)28-10-8-23(25,26)9-11-28;24-23(25)6-8-28(9-7-23)22(30)15-4-5-17-14(10-15)2-1-3-18(17)20-11-16-12-27-21(29)19(16)13-26-20/h1-7,12-13,18H,8-11,14-17H2;2-8,13-15H,9-12H2,1H3;5-11,14-15H,2-4,12-13,16H2,1H3;2-6,9,12-13H,7-8,10-11,14H2,1H3;1-7,12-13H,8-11H2,(H2,27,29);1-5,10-11,13H,6-9,12H2,(H,27,29).
What are the key properties of 2-[(3,3-difluorocyclobutyl)methyl]-5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzamide;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylquinazolin-4-one;5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one;2-methyl-5-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one?
2-[(3,3-difluorocyclobutyl)methyl]-5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzamide;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylquinazolin-4-one;5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one;2-methyl-5-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one has a molecular weight of 2569.75 g/mol, XLogP of 28.71, 15 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclobutyl)methyl]-5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzamide;7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylquinazolin-4-one;5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one;2-methyl-5-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-3H-isoindol-1-one is sourced from PubChem (CID 163994200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).