2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine

C179H226Cl3F2N19OS2 — CID 159088647

IUPAC2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine
SMILESCCc1cc(C)nc(C(C)C)c1.CCn1cc(-c2cc(C)nc(C(C)(C)C)c2)cn1.COc1ccccc1-c1cc(C)nc(C(C)C)c1.Cc1cc(-c2ccc(Cl)cc2)cc(C(C)C)n1.Cc1cc(-c2cccc(Cl)c2)cc(C(C)C)n1.Cc1cc(-c2ccccc2Cl)cc(C(C)C)n1.Cc1cc(-c2ccn(C)c2)cc(C(C)C)n1.Cc1cc(-c2ccsc2)cc(C(C)C)n1.Cc1cc(-c2cnc(C)s2)cc(C(C)C)n1.Cc1cc(-c2cnn(C(F)F)c2)cc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1cc(C2=CCCC2)cc(C(C)(C)C)n1.Cc1cc(C2CCCC2)cc(C(C)C)n1
InChIInChI=1S/C16H19NO.3C15H16ClN.C15H21N3.C15H21N.C14H18N2.C14H21N.C13H15F2N3.C13H16N2S.C13H15NS.C11H17N.C10H15N/c1-11(2)15-10-13(9-12(3)17-15)14-7-5-6-8-16(14)18-4;1-10(2)15-9-13(8-11(3)17-15)12-4-6-14(16)7-5-12;1-10(2)15-9-13(7-11(3)17-15)12-5-4-6-14(16)8-12;1-10(2)15-9-12(8-11(3)17-15)13-6-4-5-7-14(13)16;1-6-18-10-13(9-16-18)12-7-11(2)17-14(8-12)15(3,4)5;1-11-9-13(12-7-5-6-8-12)10-14(16-11)15(2,3)4;1-10(2)14-8-13(7-11(3)15-14)12-5-6-16(4)9-12;1-10(2)14-9-13(8-11(3)15-14)12-6-4-5-7-12;1-8(2)12-5-10(4-9(3)17-12)11-6-16-18(7-11)13(14)15;1-8(2)12-6-11(5-9(3)15-12)13-7-14-10(4)16-13;1-9(2)13-7-12(6-10(3)14-13)11-4-5-15-8-11;1-5-10-6-9(4)12-11(7-10)8(2)3;1-7(2)10-6-8(3)5-9(4)11-10/h5-11H,1-4H3;3*4-10H,1-3H3;7-10H,6H2,1-5H3;7,9-10H,5-6,8H2,1-4H3;5-10H,1-4H3;8-10,12H,4-7H2,1-3H3;4-8,13H,1-3H3;5-8H,1-4H3;4-9H,1-3H3;6-8H,5H2,1-4H3;5-7H,1-4H3
InChIKeyKBTVJARCYOSWCE-UHFFFAOYSA-N
MW2868.40 g/mol
LogP52.06
Rot. Bonds26

About 2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine

2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine (PubChem CID 159088647) has the molecular formula C179H226Cl3F2N19OS2 and a molecular weight of 2868.40 g/mol. Its IUPAC name is 2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine.

Molecular Properties

Compound Name2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine
PubChem CID159088647
Molecular FormulaC179H226Cl3F2N19OS2
Molecular Weight2868.40 g/mol
Exact Mass2864.67
IUPAC Name2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine
SMILESCCc1cc(C)nc(C(C)C)c1.CCn1cc(-c2cc(C)nc(C(C)(C)C)c2)cn1.COc1ccccc1-c1cc(C)nc(C(C)C)c1.Cc1cc(-c2ccc(Cl)cc2)cc(C(C)C)n1.Cc1cc(-c2cccc(Cl)c2)cc(C(C)C)n1.Cc1cc(-c2ccccc2Cl)cc(C(C)C)n1.Cc1cc(-c2ccn(C)c2)cc(C(C)C)n1.Cc1cc(-c2ccsc2)cc(C(C)C)n1.Cc1cc(-c2cnc(C)s2)cc(C(C)C)n1.Cc1cc(-c2cnn(C(F)F)c2)cc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1cc(C2=CCCC2)cc(C(C)(C)C)n1.Cc1cc(C2CCCC2)cc(C(C)C)n1
InChIInChI=1S/C16H19NO.3C15H16ClN.C15H21N3.C15H21N.C14H18N2.C14H21N.C13H15F2N3.C13H16N2S.C13H15NS.C11H17N.C10H15N/c1-11(2)15-10-13(9-12(3)17-15)14-7-5-6-8-16(14)18-4;1-10(2)15-9-13(8-11(3)17-15)12-4-6-14(16)7-5-12;1-10(2)15-9-13(7-11(3)17-15)12-5-4-6-14(16)8-12;1-10(2)15-9-12(8-11(3)17-15)13-6-4-5-7-14(13)16;1-6-18-10-13(9-16-18)12-7-11(2)17-14(8-12)15(3,4)5;1-11-9-13(12-7-5-6-8-12)10-14(16-11)15(2,3)4;1-10(2)14-8-13(7-11(3)15-14)12-5-6-16(4)9-12;1-10(2)14-9-13(8-11(3)15-14)12-6-4-5-7-12;1-8(2)12-5-10(4-9(3)17-12)11-6-16-18(7-11)13(14)15;1-8(2)12-6-11(5-9(3)15-12)13-7-14-10(4)16-13;1-9(2)13-7-12(6-10(3)14-13)11-4-5-15-8-11;1-5-10-6-9(4)12-11(7-10)8(2)3;1-7(2)10-6-8(3)5-9(4)11-10/h5-11H,1-4H3;3*4-10H,1-3H3;7-10H,6H2,1-5H3;7,9-10H,5-6,8H2,1-4H3;5-10H,1-4H3;8-10,12H,4-7H2,1-3H3;4-8,13H,1-3H3;5-8H,1-4H3;4-9H,1-3H3;6-8H,5H2,1-4H3;5-7H,1-4H3
InChIKeyKBTVJARCYOSWCE-UHFFFAOYSA-N
XLogP52.06
TPSA230.26 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002868.40
LogP ≤ 552.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-5-(1-methyl-3-phenylpyrazol-5-yl)pyridin-2-amine;N-[(2-chlorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2-chlorophenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine;N-[(2,6-difluorophenyl)methyl]-5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridin-2-amine
CID 159553699
N-benzyl-5-(1-methyl-3-phenylpyrazol-5-yl)pyridin-2-amine;N-[(2-chlorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2-chlorophenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine;N-[(2,6-difluorophenyl)methyl]-5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-amine
CID 159955037
N-benzyl-5-(1-methyl-3-phenylpyrazol-5-yl)pyridin-2-amine;N-[(2-chlorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2-chlorophenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine;N-[(2,6-difluorophenyl)methyl]-5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-amine;methane
CID 160105621
4-(2-Chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclohexyl-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-(1,3-dimethylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(1,5-dimethylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(1-ethylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(4-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4,6-di(propan-2-yl)pyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine
CID 160371895
2-Chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 161941117
2-chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-3H-pyrrole;3-propan-2-ylthiophene
CID 157727627
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine
CID 159458313

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine?
The IUPAC name of 2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine (CID 159088647) is 2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine.
What is the SMILES notation for 2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine?
The canonical SMILES for 2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine is CCc1cc(C)nc(C(C)C)c1.CCn1cc(-c2cc(C)nc(C(C)(C)C)c2)cn1.COc1ccccc1-c1cc(C)nc(C(C)C)c1.Cc1cc(-c2ccc(Cl)cc2)cc(C(C)C)n1.Cc1cc(-c2cccc(Cl)c2)cc(C(C)C)n1.Cc1cc(-c2ccccc2Cl)cc(C(C)C)n1.Cc1cc(-c2ccn(C)c2)cc(C(C)C)n1.Cc1cc(-c2ccsc2)cc(C(C)C)n1.Cc1cc(-c2cnc(C)s2)cc(C(C)C)n1.Cc1cc(-c2cnn(C(F)F)c2)cc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1cc(C2=CCCC2)cc(C(C)(C)C)n1.Cc1cc(C2CCCC2)cc(C(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine?
The InChIKey is KBTVJARCYOSWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.3C15H16ClN.C15H21N3.C15H21N.C14H18N2.C14H21N.C13H15F2N3.C13H16N2S.C13H15NS.C11H17N.C10H15N/c1-11(2)15-10-13(9-12(3)17-15)14-7-5-6-8-16(14)18-4;1-10(2)15-9-13(8-11(3)17-15)12-4-6-14(16)7-5-12;1-10(2)15-9-13(7-11(3)17-15)12-5-4-6-14(16)8-12;1-10(2)15-9-12(8-11(3)17-15)13-6-4-5-7-14(13)16;1-6-18-10-13(9-16-18)12-7-11(2)17-14(8-12)15(3,4)5;1-11-9-13(12-7-5-6-8-12)10-14(16-11)15(2,3)4;1-10(2)14-8-13(7-11(3)15-14)12-5-6-16(4)9-12;1-10(2)14-9-13(8-11(3)15-14)12-6-4-5-7-12;1-8(2)12-5-10(4-9(3)17-12)11-6-16-18(7-11)13(14)15;1-8(2)12-6-11(5-9(3)15-12)13-7-14-10(4)16-13;1-9(2)13-7-12(6-10(3)14-13)11-4-5-15-8-11;1-5-10-6-9(4)12-11(7-10)8(2)3;1-7(2)10-6-8(3)5-9(4)11-10/h5-11H,1-4H3;3*4-10H,1-3H3;7-10H,6H2,1-5H3;7,9-10H,5-6,8H2,1-4H3;5-10H,1-4H3;8-10,12H,4-7H2,1-3H3;4-8,13H,1-3H3;5-8H,1-4H3;4-9H,1-3H3;6-8H,5H2,1-4H3;5-7H,1-4H3.
What are the key properties of 2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine?
2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine has a molecular weight of 2868.40 g/mol, XLogP of 52.06, 26 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine is sourced from PubChem (CID 159088647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).