2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-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;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine

C143H182F3N27O — CID 158880398

IUPAC2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-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;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine
SMILESCc1cc(-c2ccn(C)n2)cc(C(C)C)n1.Cc1cc(-c2cn(C)nc2C)cc(C(C)C)n1.Cc1cc(-c2cn[nH]c2)cc(C(C)C)n1.Cc1cc(-c2cncnc2)cc(C(C)C)n1.Cc1cc(-c2cnn(-c3ccccc3)c2)cc(C(C)C)n1.Cc1cc(-c2cnn(C)c2C)cc(C(C)C)n1.Cc1cc(-c2cnn(CC(F)(F)F)c2)cc(C(C)(C)C)n1.Cc1cc(-c2cnn(CCO)c2)cc(C(C)C)n1.Cc1cc(C2CCCCC2)cc(C(C)C)n1.Cc1ccc(-c2cc(C)nc(C(C)C)c2)cn1
InChIInChI=1S/C18H19N3.C15H18F3N3.C15H18N2.C15H23N.C14H19N3O.2C14H19N3.C13H15N3.C13H17N3.C12H15N3/c1-13(2)18-10-15(9-14(3)20-18)16-11-19-21(12-16)17-7-5-4-6-8-17;1-10-5-11(6-13(20-10)14(2,3)4)12-7-19-21(8-12)9-15(16,17)18;1-10(2)15-8-14(7-12(4)17-15)13-6-5-11(3)16-9-13;1-11(2)15-10-14(9-12(3)16-15)13-7-5-4-6-8-13;1-10(2)14-7-12(6-11(3)16-14)13-8-15-17(9-13)4-5-18;1-9(2)14-7-12(6-10(3)15-14)13-8-17(5)16-11(13)4;1-9(2)14-7-12(6-10(3)16-14)13-8-15-17(5)11(13)4;1-9(2)13-5-11(4-10(3)16-13)12-6-14-8-15-7-12;1-9(2)13-8-11(7-10(3)14-13)12-5-6-16(4)15-12;1-8(2)12-5-10(4-9(3)15-12)11-6-13-14-7-11/h4-13H,1-3H3;5-8H,9H2,1-4H3;5-10H,1-4H3;9-11,13H,4-8H2,1-3H3;6-10,18H,4-5H2,1-3H3;2*6-9H,1-5H3;4-9H,1-3H3;5-9H,1-4H3;4-8H,1-3H3,(H,13,14)
InChIKeyJCYOKIHXSWXZQM-UHFFFAOYSA-N
MW2352.21 g/mol
LogP34.53
Rot. Bonds23

About 2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-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;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine

2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-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;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine (PubChem CID 158880398) has the molecular formula C143H182F3N27O and a molecular weight of 2352.21 g/mol. Its IUPAC name is 2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-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;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-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;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine
PubChem CID158880398
Molecular FormulaC143H182F3N27O
Molecular Weight2352.21 g/mol
Exact Mass2350.50
IUPAC Name2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-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;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine
SMILESCc1cc(-c2ccn(C)n2)cc(C(C)C)n1.Cc1cc(-c2cn(C)nc2C)cc(C(C)C)n1.Cc1cc(-c2cn[nH]c2)cc(C(C)C)n1.Cc1cc(-c2cncnc2)cc(C(C)C)n1.Cc1cc(-c2cnn(-c3ccccc3)c2)cc(C(C)C)n1.Cc1cc(-c2cnn(C)c2C)cc(C(C)C)n1.Cc1cc(-c2cnn(CC(F)(F)F)c2)cc(C(C)(C)C)n1.Cc1cc(-c2cnn(CCO)c2)cc(C(C)C)n1.Cc1cc(C2CCCCC2)cc(C(C)C)n1.Cc1ccc(-c2cc(C)nc(C(C)C)c2)cn1
InChIInChI=1S/C18H19N3.C15H18F3N3.C15H18N2.C15H23N.C14H19N3O.2C14H19N3.C13H15N3.C13H17N3.C12H15N3/c1-13(2)18-10-15(9-14(3)20-18)16-11-19-21(12-16)17-7-5-4-6-8-17;1-10-5-11(6-13(20-10)14(2,3)4)12-7-19-21(8-12)9-15(16,17)18;1-10(2)15-8-14(7-12(4)17-15)13-6-5-11(3)16-9-13;1-11(2)15-10-14(9-12(3)16-15)13-7-5-4-6-8-13;1-10(2)14-7-12(6-11(3)16-14)13-8-15-17(9-13)4-5-18;1-9(2)14-7-12(6-10(3)15-14)13-8-17(5)16-11(13)4;1-9(2)14-7-12(6-10(3)16-14)13-8-15-17(5)11(13)4;1-9(2)13-5-11(4-10(3)16-13)12-6-14-8-15-7-12;1-9(2)13-8-11(7-10(3)14-13)12-5-6-16(4)15-12;1-8(2)12-5-10(4-9(3)15-12)11-6-13-14-7-11/h4-13H,1-3H3;5-8H,9H2,1-4H3;5-10H,1-4H3;9-11,13H,4-8H2,1-3H3;6-10,18H,4-5H2,1-3H3;2*6-9H,1-5H3;4-9H,1-3H3;5-9H,1-4H3;4-8H,1-3H3,(H,13,14)
InChIKeyJCYOKIHXSWXZQM-UHFFFAOYSA-N
XLogP34.53
TPSA323.40 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002352.21
LogP ≤ 534.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze 2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-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;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]cyclopentyl]-6-[1-(oxetan-3-yl)piperidin-3-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine
CID 123924452
[3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-[6-methyl-4-(1-methylpyrazol-3-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-[6-methyl-4-(1-phenylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-[6-methyl-4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-[6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 157283348
(3S,4S)-4-propyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R,4S)-4-propyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3S,4R)-4-propyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R,4R)-4-propyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 157369269
4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine
CID 157502516
1-tert-butyl-4-cyclohexylpiperazine;5-tert-butyl-2-cyclopropylpyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(piperidin-1-ylmethyl)pyridine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;1-[(5-tert-butyl-2-pyridinyl)methyl]-4-methylpiperazine;5-tert-butylpyrimidine;1-tert-butyl-3-(trifluoromethyl)benzene
CID 157860188
N-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;2-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]butan-2-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxan-4-yl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxan-4-yl)pyrimidin-4-amine
CID 157955004
2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole
CID 159134195
N-[6-[3-(dimethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N',N'-dimethyl-N-[3-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]propyl]ethane-1,2-diamine;N-[6-[3-(methylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;2-[3-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]propylamino]ethanol
CID 159160300
4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol;(2S)-4-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pentane-1,2-diamine;(2S)-4-methyl-2-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pentane-1,2-diamine;4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 159306534
bis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine
CID 159503636
(3S,4S)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-ol;(3R,4R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-ol;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methanamine;(3S,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol;(3R,4R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol;molecular hydrogen
CID 159541767
4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);2-(3,4,5-trimethylpyrazol-1-yl)ethanol;bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
CID 159617862

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-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;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine?
The IUPAC name of 2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-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;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine (CID 158880398) is 2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-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;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-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;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine?
The canonical SMILES for 2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-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;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine is Cc1cc(-c2ccn(C)n2)cc(C(C)C)n1.Cc1cc(-c2cn(C)nc2C)cc(C(C)C)n1.Cc1cc(-c2cn[nH]c2)cc(C(C)C)n1.Cc1cc(-c2cncnc2)cc(C(C)C)n1.Cc1cc(-c2cnn(-c3ccccc3)c2)cc(C(C)C)n1.Cc1cc(-c2cnn(C)c2C)cc(C(C)C)n1.Cc1cc(-c2cnn(CC(F)(F)F)c2)cc(C(C)(C)C)n1.Cc1cc(-c2cnn(CCO)c2)cc(C(C)C)n1.Cc1cc(C2CCCCC2)cc(C(C)C)n1.Cc1ccc(-c2cc(C)nc(C(C)C)c2)cn1.
What is the InChIKey of 2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-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;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine?
The InChIKey is JCYOKIHXSWXZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3.C15H18F3N3.C15H18N2.C15H23N.C14H19N3O.2C14H19N3.C13H15N3.C13H17N3.C12H15N3/c1-13(2)18-10-15(9-14(3)20-18)16-11-19-21(12-16)17-7-5-4-6-8-17;1-10-5-11(6-13(20-10)14(2,3)4)12-7-19-21(8-12)9-15(16,17)18;1-10(2)15-8-14(7-12(4)17-15)13-6-5-11(3)16-9-13;1-11(2)15-10-14(9-12(3)16-15)13-7-5-4-6-8-13;1-10(2)14-7-12(6-11(3)16-14)13-8-15-17(9-13)4-5-18;1-9(2)14-7-12(6-10(3)15-14)13-8-17(5)16-11(13)4;1-9(2)14-7-12(6-10(3)16-14)13-8-15-17(5)11(13)4;1-9(2)13-5-11(4-10(3)16-13)12-6-14-8-15-7-12;1-9(2)13-8-11(7-10(3)14-13)12-5-6-16(4)15-12;1-8(2)12-5-10(4-9(3)15-12)11-6-13-14-7-11/h4-13H,1-3H3;5-8H,9H2,1-4H3;5-10H,1-4H3;9-11,13H,4-8H2,1-3H3;6-10,18H,4-5H2,1-3H3;2*6-9H,1-5H3;4-9H,1-3H3;5-9H,1-4H3;4-8H,1-3H3,(H,13,14).
What are the key properties of 2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-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;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine?
2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-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;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine has a molecular weight of 2352.21 g/mol, XLogP of 34.53, 23 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-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;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine is sourced from PubChem (CID 158880398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).