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

C158H179F4N15O9S3 — CID 162167646

IUPAC3-[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
SMILESCC(C)CS(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1.CC(C)c1ncccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1.CC(C)c1ncccc1-c1ccc2ccn(C)c2c1.CC(C)c1ncccc1-c1cccc(OC(C)(F)F)c1.CC(C)c1ncccc1-c1ccsc1.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.C18H23NO2S.C17H18N2.C16H17F2NO.C16H17FN2O.C16H18N2O2.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)12-22(20,21)16-9-7-15(8-10-16)17-6-5-11-19-18(17)14(3)4;1-12(2)17-15(5-4-9-18-17)14-7-6-13-8-10-19(3)16(13)11-14;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;1-10(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;5-11,13-14H,12H2,1-4H3;4-12H,1-3H3;4-11H,1-3H3;4-10H,1-3H3,(H,18,20);4-11H,1-3H3,(H,18,19);4-10H,1-3H3;4-11H,1-3H3;4-10H,1-3H3;3-9H,1-2H3
InChIKeyZNISUOXLSYRTKG-UHFFFAOYSA-N
MW2604.46 g/mol
LogP40.71
Rot. Bonds30

About 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

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 (PubChem CID 162167646) has the molecular formula C158H179F4N15O9S3 and a molecular weight of 2604.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID162167646
Molecular FormulaC158H179F4N15O9S3
Molecular Weight2604.46 g/mol
Exact Mass2602.31
IUPAC Name3-[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
SMILESCC(C)CS(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1.CC(C)c1ncccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1.CC(C)c1ncccc1-c1ccc2ccn(C)c2c1.CC(C)c1ncccc1-c1cccc(OC(C)(F)F)c1.CC(C)c1ncccc1-c1ccsc1.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.C18H23NO2S.C17H18N2.C16H17F2NO.C16H17FN2O.C16H18N2O2.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)12-22(20,21)16-9-7-15(8-10-16)17-6-5-11-19-18(17)14(3)4;1-12(2)17-15(5-4-9-18-17)14-7-6-13-8-10-19(3)16(13)11-14;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;1-10(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;5-11,13-14H,12H2,1-4H3;4-12H,1-3H3;4-11H,1-3H3;4-10H,1-3H3,(H,18,20);4-11H,1-3H3,(H,18,19);4-10H,1-3H3;4-11H,1-3H3;4-10H,1-3H3;3-9H,1-2H3
InChIKeyZNISUOXLSYRTKG-UHFFFAOYSA-N
XLogP40.71
TPSA304.13 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002604.46
LogP ≤ 540.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 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 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-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
CID 158404714
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
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
1-Tert-butyl-4-methylbenzene;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;1-methyl-4-phenylbenzene;(3-methylphenyl)methanol;(4-methylphenyl)methanol;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;5-methyl-2-phenylpyridine;2-(4-methylphenyl)thieno[3,2-c]pyridine;bis(1-methyl-4-propan-2-ylbenzene);(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene;1,4-xylene
CID 159584034
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-[2-oxo-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-9-yl]benzamide;9-[4-(4-methylpiperazin-1-yl)phenyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-[4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]benzo[h][1,6]naphthyridin-2-one
CID 159971871
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
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
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-[2-oxo-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-9-yl]benzamide;N-[2-methyl-5-[9-[4-(methylcarbamoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide;N-[2-methyl-5-(2-oxo-9-phenylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-[4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]benzo[h][1,6]naphthyridin-2-one
CID 161563298
9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(1H-inden-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-[1,3]oxazino[5,4-c]quinolin-2-one
CID 162166628

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CS(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1.CC(C)c1ncccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1.CC(C)c1ncccc1-c1ccc2ccn(C)c2c1.CC(C)c1ncccc1-c1cccc(OC(C)(F)F)c1.CC(C)c1ncccc1-c1ccsc1.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 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?
The InChIKey is ZNISUOXLSYRTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S.C18H23NO2S.C17H18N2.C16H17F2NO.C16H17FN2O.C16H18N2O2.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)12-22(20,21)16-9-7-15(8-10-16)17-6-5-11-19-18(17)14(3)4;1-12(2)17-15(5-4-9-18-17)14-7-6-13-8-10-19(3)16(13)11-14;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;1-10(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;5-11,13-14H,12H2,1-4H3;4-12H,1-3H3;4-11H,1-3H3;4-10H,1-3H3,(H,18,20);4-11H,1-3H3,(H,18,19);4-10H,1-3H3;4-11H,1-3H3;4-10H,1-3H3;3-9H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2604.46 g/mol, XLogP of 40.71, 30 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162167646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).