2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine

C176H198F4N16O10S3 — CID 158622856

IUPAC2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine
SMILESCC(C)CS(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1.CC(C)c1ncccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1.CC(C)c1ncccc1-c1cccc(C(=O)CC2CC2)c1.CC(C)c1ncccc1-c1cccc(OC(C)(F)F)c1.CC(C)c1ncccc1-c1ccsc1.CC(C)c1ncccc1-c1cnc2c(c1)C=CC2.CNC(=O)c1cc(F)cc(-c2cccnc2C(C)C)c1.COC(=O)Nc1ccc(-c2cccnc2C(C)C)cc1.COc1ccc(-c2cccnc2C(C)C)cn1.Cc1cc(-c2cccnc2C(C)C)ccc1F.Cc1ccc(-c2cccnc2C(C)C)cc1
InChIInChI=1S/C19H24N2O2S.C19H21NO.C18H23NO2S.C16H17F2NO.C16H17FN2O.C16H18N2O2.C16H16N2.C15H16FN.C15H17N.C14H16N2O.C12H13NS/c1-15(2)19-18(7-6-12-20-19)16-8-10-17(11-9-16)24(22,23)21-13-4-3-5-14-21;1-13(2)19-17(7-4-10-20-19)15-5-3-6-16(12-15)18(21)11-14-8-9-14;1-13(2)12-22(20,21)16-9-7-15(8-10-16)17-6-5-11-19-18(17)14(3)4;1-11(2)15-14(8-5-9-19-15)12-6-4-7-13(10-12)20-16(3,17)18;1-10(2)15-14(5-4-6-19-15)11-7-12(16(20)18-3)9-13(17)8-11;1-11(2)15-14(5-4-10-17-15)12-6-8-13(9-7-12)18-16(19)20-3;1-11(2)16-14(6-4-8-17-16)13-9-12-5-3-7-15(12)18-10-13;1-10(2)15-13(5-4-8-17-15)12-6-7-14(16)11(3)9-12;1-11(2)15-14(5-4-10-16-15)13-8-6-12(3)7-9-13;1-10(2)14-12(5-4-8-15-14)11-6-7-13(17-3)16-9-11;1-9(2)12-11(4-3-6-13-12)10-5-7-14-8-10/h6-12,15H,3-5,13-14H2,1-2H3;3-7,10,12-14H,8-9,11H2,1-2H3;5-11,13-14H,12H2,1-4H3;4-11H,1-3H3;4-10H,1-3H3,(H,18,20);4-11H,1-3H3,(H,18,19);3-6,8-11H,7H2,1-2H3;4-10H,1-3H3;4-11H,1-3H3;4-10H,1-3H3;3-9H,1-2H3
InChIKeyHYFJMUXXAIJJTJ-UHFFFAOYSA-N
MW2869.81 g/mol
LogP45.03
Rot. Bonds35

About 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine

2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine (PubChem CID 158622856) has the molecular formula C176H198F4N16O10S3 and a molecular weight of 2869.81 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine
PubChem CID158622856
Molecular FormulaC176H198F4N16O10S3
Molecular Weight2869.81 g/mol
Exact Mass2867.46
IUPAC Name2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine
SMILESCC(C)CS(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1.CC(C)c1ncccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1.CC(C)c1ncccc1-c1cccc(C(=O)CC2CC2)c1.CC(C)c1ncccc1-c1cccc(OC(C)(F)F)c1.CC(C)c1ncccc1-c1ccsc1.CC(C)c1ncccc1-c1cnc2c(c1)C=CC2.CNC(=O)c1cc(F)cc(-c2cccnc2C(C)C)c1.COC(=O)Nc1ccc(-c2cccnc2C(C)C)cc1.COc1ccc(-c2cccnc2C(C)C)cn1.Cc1cc(-c2cccnc2C(C)C)ccc1F.Cc1ccc(-c2cccnc2C(C)C)cc1
InChIInChI=1S/C19H24N2O2S.C19H21NO.C18H23NO2S.C16H17F2NO.C16H17FN2O.C16H18N2O2.C16H16N2.C15H16FN.C15H17N.C14H16N2O.C12H13NS/c1-15(2)19-18(7-6-12-20-19)16-8-10-17(11-9-16)24(22,23)21-13-4-3-5-14-21;1-13(2)19-17(7-4-10-20-19)15-5-3-6-16(12-15)18(21)11-14-8-9-14;1-13(2)12-22(20,21)16-9-7-15(8-10-16)17-6-5-11-19-18(17)14(3)4;1-11(2)15-14(8-5-9-19-15)12-6-4-7-13(10-12)20-16(3,17)18;1-10(2)15-14(5-4-6-19-15)11-7-12(16(20)18-3)9-13(17)8-11;1-11(2)15-14(5-4-10-17-15)12-6-8-13(9-7-12)18-16(19)20-3;1-11(2)16-14(6-4-8-17-16)13-9-12-5-3-7-15(12)18-10-13;1-10(2)15-13(5-4-8-17-15)12-6-7-14(16)11(3)9-12;1-11(2)15-14(5-4-10-16-15)13-8-6-12(3)7-9-13;1-10(2)14-12(5-4-8-15-14)11-6-7-13(17-3)16-9-11;1-9(2)12-11(4-3-6-13-12)10-5-7-14-8-10/h6-12,15H,3-5,13-14H2,1-2H3;3-7,10,12-14H,8-9,11H2,1-2H3;5-11,13-14H,12H2,1-4H3;4-11H,1-3H3;4-10H,1-3H3,(H,18,20);4-11H,1-3H3,(H,18,19);3-6,8-11H,7H2,1-2H3;4-10H,1-3H3;4-11H,1-3H3;4-10H,1-3H3;3-9H,1-2H3
InChIKeyHYFJMUXXAIJJTJ-UHFFFAOYSA-N
XLogP45.03
TPSA342.05 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002869.81
LogP ≤ 545.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine with MolForge

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Related Compounds

1,3-Difluoro-5-methylbenzene;1-ethenyl-4-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;1-methyl-4-phenylbenzene;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;4-(4-methylphenyl)pyridine;bis(5-methyl-2-phenylpyridine);2-(4-methylphenyl)thieno[3,2-c]pyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene;1,4-xylene
CID 157105955
2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine
CID 158277324
1,3-Difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;1-methyl-4-phenylbenzene;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;4-(4-methylphenyl)pyridine;bis(5-methyl-2-phenylpyridine);2-(4-methylphenyl)thieno[3,2-c]pyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene
CID 158561358
9-[4-(2,2-dimethylpropylsulfonyl)phenyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;3-fluoro-N-methyl-4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]benzamide;N-[5-[9-[4-(methanesulfonamido)phenyl]-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-[4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide
CID 160244572
4-tert-butylbenzamide;tert-butylbenzene;2-tert-butylbenzonitrile;3-tert-butylbenzonitrile;4-tert-butylbenzonitrile;1-tert-butylcyclopentene;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;3-tert-butylfuran;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(4-tert-butylphenyl)acetamide;1-(4-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethyl)benzene;bis(3,3-dimethylbut-1-ene);2,2-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;ethane;2-methyl-2-(trifluoromethoxy)propane
CID 160612601
3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine
CID 160937097
3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;1-methyl-6-(2-propan-2-yl-3-pyridinyl)indole;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-thiophen-3-ylpyridine
CID 162167646
1-[6-(4-ethoxyphenyl)-1-hydroxypyridin-1-ium-3-yl]-4-(3-methylphenyl)butan-2-one;2-[6-(2-ethoxyphenyl)-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[6-(3-ethoxyphenyl)-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;2-(3-fluoro-4-phenylphenyl)-N-[(3-methylphenyl)methyl]acetamide;2-[6-(3-fluorophenyl)-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[6-(4-fluorophenyl)-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[4-(1-hydroxypyridin-1-ium-4-yl)phenyl]-N-[(3-methylphenyl)methyl]acetamide;4-[5-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-2-pyridinyl]benzoic acid;N-[(3-methylphenyl)methyl]-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide
CID 160254360
[2-amino-5-[6-[2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]phenyl] acetate;[2-amino-5-[6-[2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]phenyl] acetate;2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;3-[6-[2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]benzonitrile;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(4-methylsulfonylphenyl)-1H-isoindol-5-yl]ethanone
CID 161861768
N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2,6-dimethyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(2-methyl-3-pyridinyl)propan-1-one;3-(6-methoxy-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
CID 167562669
4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 167588462
N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide
CID 167697694

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine?
The IUPAC name of 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine (CID 158622856) is 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine.
What is the SMILES notation for 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine?
The canonical SMILES for 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine is CC(C)CS(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1.CC(C)c1ncccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1.CC(C)c1ncccc1-c1cccc(C(=O)CC2CC2)c1.CC(C)c1ncccc1-c1cccc(OC(C)(F)F)c1.CC(C)c1ncccc1-c1ccsc1.CC(C)c1ncccc1-c1cnc2c(c1)C=CC2.CNC(=O)c1cc(F)cc(-c2cccnc2C(C)C)c1.COC(=O)Nc1ccc(-c2cccnc2C(C)C)cc1.COc1ccc(-c2cccnc2C(C)C)cn1.Cc1cc(-c2cccnc2C(C)C)ccc1F.Cc1ccc(-c2cccnc2C(C)C)cc1.
What is the InChIKey of 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine?
The InChIKey is HYFJMUXXAIJJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S.C19H21NO.C18H23NO2S.C16H17F2NO.C16H17FN2O.C16H18N2O2.C16H16N2.C15H16FN.C15H17N.C14H16N2O.C12H13NS/c1-15(2)19-18(7-6-12-20-19)16-8-10-17(11-9-16)24(22,23)21-13-4-3-5-14-21;1-13(2)19-17(7-4-10-20-19)15-5-3-6-16(12-15)18(21)11-14-8-9-14;1-13(2)12-22(20,21)16-9-7-15(8-10-16)17-6-5-11-19-18(17)14(3)4;1-11(2)15-14(8-5-9-19-15)12-6-4-7-13(10-12)20-16(3,17)18;1-10(2)15-14(5-4-6-19-15)11-7-12(16(20)18-3)9-13(17)8-11;1-11(2)15-14(5-4-10-17-15)12-6-8-13(9-7-12)18-16(19)20-3;1-11(2)16-14(6-4-8-17-16)13-9-12-5-3-7-15(12)18-10-13;1-10(2)15-13(5-4-8-17-15)12-6-7-14(16)11(3)9-12;1-11(2)15-14(5-4-10-16-15)13-8-6-12(3)7-9-13;1-10(2)14-12(5-4-8-15-14)11-6-7-13(17-3)16-9-11;1-9(2)12-11(4-3-6-13-12)10-5-7-14-8-10/h6-12,15H,3-5,13-14H2,1-2H3;3-7,10,12-14H,8-9,11H2,1-2H3;5-11,13-14H,12H2,1-4H3;4-11H,1-3H3;4-10H,1-3H3,(H,18,20);4-11H,1-3H3,(H,18,19);3-6,8-11H,7H2,1-2H3;4-10H,1-3H3;4-11H,1-3H3;4-10H,1-3H3;3-9H,1-2H3.
What are the key properties of 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine?
2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine has a molecular weight of 2869.81 g/mol, XLogP of 45.03, 35 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine is sourced from PubChem (CID 158622856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).