3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

C198H214ClF3N26O5S2 — CID 159946066

IUPAC3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESC=S(C)(=O)Nc1ccc(-c2cccnc2C(C)C)cc1.CC(=O)Nc1cc(-c2cccnc2C(C)C)ccc1F.CC(C)c1ncccc1-c1ccc(Cl)c(F)c1.CC(C)c1ncccc1-c1ccc(F)c(N)c1.CC(C)c1ncccc1-c1ccc2c(c1)=NCN=2.CC(C)c1ncccc1-c1ccc2ccccc2c1.CC(C)c1ncccc1-c1ccc2nccn2c1.CC(C)c1ncccc1-c1cccnc1.CC(C)c1ncccc1-c1cnc2c(c1)CCCN2.CC(C)c1ncccc1-c1cnn(C)c1.CCS(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1.COc1ccc2cc(-c3cccnc3C(C)C)ccc2c1.Cc1ccc(-c2nccnc2C(C)C)cc1
InChIInChI=1S/C19H19NO.C18H17N.C16H17FN2O.C16H19N3.C16H20N2OS.C16H19NO2S.2C15H15N3.C14H13ClFN.C14H15FN2.C14H16N2.C13H14N2.C12H15N3/c1-13(2)19-18(5-4-10-20-19)16-7-6-15-12-17(21-3)9-8-14(15)11-16;1-13(2)18-17(8-5-11-19-18)16-10-9-14-6-3-4-7-15(14)12-16;1-10(2)16-13(5-4-8-18-16)12-6-7-14(17)15(9-12)19-11(3)20;1-11(2)15-14(6-4-7-17-15)13-9-12-5-3-8-18-16(12)19-10-13;1-12(2)16-15(6-5-11-17-16)13-7-9-14(10-8-13)18-20(3,4)19;1-4-20(18,19)14-9-7-13(8-10-14)15-6-5-11-17-16(15)12(2)3;1-10(2)15-12(4-3-7-16-15)11-5-6-13-14(8-11)18-9-17-13;1-11(2)15-13(4-3-7-17-15)12-5-6-14-16-8-9-18(14)10-12;2*1-9(2)14-11(4-3-7-17-14)10-5-6-12(15)13(16)8-10;1-10(2)13-14(16-9-8-15-13)12-6-4-11(3)5-7-12;1-10(2)13-12(6-4-8-15-13)11-5-3-7-14-9-11;1-9(2)12-11(5-4-6-13-12)10-7-14-15(3)8-10/h4-13H,1-3H3;3-13H,1-2H3;4-10H,1-3H3,(H,19,20);4,6-7,9-11H,3,5,8H2,1-2H3,(H,18,19);5-12H,3H2,1-2,4H3,(H,18,19);5-12H,4H2,1-3H3;3-8,10H,9H2,1-2H3;3-11H,1-2H3;3-9H,1-2H3;3-9H,16H2,1-2H3;4-10H,1-3H3;3-10H,1-2H3;4-9H,1-3H3
InChIKeyOBMROKOJXMZIMM-UHFFFAOYSA-N
MW3194.65 g/mol
LogP48.17
Rot. Bonds32

About 3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 159946066) has the molecular formula C198H214ClF3N26O5S2 and a molecular weight of 3194.65 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID159946066
Molecular FormulaC198H214ClF3N26O5S2
Molecular Weight3194.65 g/mol
Exact Mass3191.64
IUPAC Name3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESC=S(C)(=O)Nc1ccc(-c2cccnc2C(C)C)cc1.CC(=O)Nc1cc(-c2cccnc2C(C)C)ccc1F.CC(C)c1ncccc1-c1ccc(Cl)c(F)c1.CC(C)c1ncccc1-c1ccc(F)c(N)c1.CC(C)c1ncccc1-c1ccc2c(c1)=NCN=2.CC(C)c1ncccc1-c1ccc2ccccc2c1.CC(C)c1ncccc1-c1ccc2nccn2c1.CC(C)c1ncccc1-c1cccnc1.CC(C)c1ncccc1-c1cnc2c(c1)CCCN2.CC(C)c1ncccc1-c1cnn(C)c1.CCS(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1.COc1ccc2cc(-c3cccnc3C(C)C)ccc2c1.Cc1ccc(-c2nccnc2C(C)C)cc1
InChIInChI=1S/C19H19NO.C18H17N.C16H17FN2O.C16H19N3.C16H20N2OS.C16H19NO2S.2C15H15N3.C14H13ClFN.C14H15FN2.C14H16N2.C13H14N2.C12H15N3/c1-13(2)19-18(5-4-10-20-19)16-7-6-15-12-17(21-3)9-8-14(15)11-16;1-13(2)18-17(8-5-11-19-18)16-10-9-14-6-3-4-7-15(14)12-16;1-10(2)16-13(5-4-8-18-16)12-6-7-14(17)15(9-12)19-11(3)20;1-11(2)15-14(6-4-7-17-15)13-9-12-5-3-8-18-16(12)19-10-13;1-12(2)16-15(6-5-11-17-16)13-7-9-14(10-8-13)18-20(3,4)19;1-4-20(18,19)14-9-7-13(8-10-14)15-6-5-11-17-16(15)12(2)3;1-10(2)15-12(4-3-7-16-15)11-5-6-13-14(8-11)18-9-17-13;1-11(2)15-13(4-3-7-17-15)12-5-6-14-16-8-9-18(14)10-12;2*1-9(2)14-11(4-3-7-17-14)10-5-6-12(15)13(16)8-10;1-10(2)13-14(16-9-8-15-13)12-6-4-11(3)5-7-12;1-10(2)13-12(6-4-8-15-13)11-5-3-7-14-9-11;1-9(2)12-11(5-4-6-13-12)10-7-14-15(3)8-10/h4-13H,1-3H3;3-13H,1-2H3;4-10H,1-3H3,(H,19,20);4,6-7,9-11H,3,5,8H2,1-2H3,(H,18,19);5-12H,3H2,1-2,4H3,(H,18,19);5-12H,4H2,1-3H3;3-8,10H,9H2,1-2H3;3-11H,1-2H3;3-9H,1-2H3;3-9H,16H2,1-2H3;4-10H,1-3H3;3-10H,1-2H3;4-9H,1-3H3
InChIKeyOBMROKOJXMZIMM-UHFFFAOYSA-N
XLogP48.17
TPSA405.70 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds32
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003194.65
LogP ≤ 548.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine with MolForge

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Related Compounds

5-Chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-lambda4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline
CID 162107091
3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-lambda6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 157122644
6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(3-methylbenzimidazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 158529575
3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(3,5-dichlorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-lambda6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;4-methyl-1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]sulfonylpentan-2-one;3-(4-methylsulfonylphenyl)-2-propan-2-ylpyridine;morpholin-4-yl-[3-(2-propan-2-yl-3-pyridinyl)phenyl]methanone;3-naphthalen-2-yl-2-propan-2-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;5-(2-propan-2-yl-3-pyridinyl)-1H-indole
CID 160965359
3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-lambda6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;4-methyl-1-[4-(2-propan-2-yl-3-pyridinyl)phenyl]sulfonylpentan-2-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine
CID 161769380
3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-lambda6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 162239767

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 159946066) is 3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is C=S(C)(=O)Nc1ccc(-c2cccnc2C(C)C)cc1.CC(=O)Nc1cc(-c2cccnc2C(C)C)ccc1F.CC(C)c1ncccc1-c1ccc(Cl)c(F)c1.CC(C)c1ncccc1-c1ccc(F)c(N)c1.CC(C)c1ncccc1-c1ccc2c(c1)=NCN=2.CC(C)c1ncccc1-c1ccc2ccccc2c1.CC(C)c1ncccc1-c1ccc2nccn2c1.CC(C)c1ncccc1-c1cccnc1.CC(C)c1ncccc1-c1cnc2c(c1)CCCN2.CC(C)c1ncccc1-c1cnn(C)c1.CCS(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1.COc1ccc2cc(-c3cccnc3C(C)C)ccc2c1.Cc1ccc(-c2nccnc2C(C)C)cc1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is OBMROKOJXMZIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO.C18H17N.C16H17FN2O.C16H19N3.C16H20N2OS.C16H19NO2S.2C15H15N3.C14H13ClFN.C14H15FN2.C14H16N2.C13H14N2.C12H15N3/c1-13(2)19-18(5-4-10-20-19)16-7-6-15-12-17(21-3)9-8-14(15)11-16;1-13(2)18-17(8-5-11-19-18)16-10-9-14-6-3-4-7-15(14)12-16;1-10(2)16-13(5-4-8-18-16)12-6-7-14(17)15(9-12)19-11(3)20;1-11(2)15-14(6-4-7-17-15)13-9-12-5-3-8-18-16(12)19-10-13;1-12(2)16-15(6-5-11-17-16)13-7-9-14(10-8-13)18-20(3,4)19;1-4-20(18,19)14-9-7-13(8-10-14)15-6-5-11-17-16(15)12(2)3;1-10(2)15-12(4-3-7-16-15)11-5-6-13-14(8-11)18-9-17-13;1-11(2)15-13(4-3-7-17-15)12-5-6-14-16-8-9-18(14)10-12;2*1-9(2)14-11(4-3-7-17-14)10-5-6-12(15)13(16)8-10;1-10(2)13-14(16-9-8-15-13)12-6-4-11(3)5-7-12;1-10(2)13-12(6-4-8-15-13)11-5-3-7-14-9-11;1-9(2)12-11(5-4-6-13-12)10-7-14-15(3)8-10/h4-13H,1-3H3;3-13H,1-2H3;4-10H,1-3H3,(H,19,20);4,6-7,9-11H,3,5,8H2,1-2H3,(H,18,19);5-12H,3H2,1-2,4H3,(H,18,19);5-12H,4H2,1-3H3;3-8,10H,9H2,1-2H3;3-11H,1-2H3;3-9H,1-2H3;3-9H,16H2,1-2H3;4-10H,1-3H3;3-10H,1-2H3;4-9H,1-3H3.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 3194.65 g/mol, XLogP of 48.17, 32 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 159946066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).