5-tert-butyl-1-(difluoromethyl)-2-methylidenepyridine;5-tert-butyl-2-(1-fluoroethoxy)pyrimidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;1-ethyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;bis(2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol);tetrakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;(2R)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;(2S)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol

C191H295F4N31O8 — CID 158997422

IUPAC5-tert-butyl-1-(difluoromethyl)-2-methylidenepyridine;5-tert-butyl-2-(1-fluoroethoxy)pyrimidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;1-ethyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;bis(2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol);tetrakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;(2R)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;(2S)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol
SMILESC=C1C=CC(C(C)(C)C)=CN1C(F)F.C=C1C=CC(C(C)C)=CN1CC.CC(C)(C)c1cncc(F)c1.CC(C)c1cnn(CC(=O)N2CCOCC2)c1.CC(C)c1cnn(CC(C)(C)O)c1.CC(C)c1cnn(CC(C)(C)O)c1.CC(C)c1cnn(C[C@@H](C)O)c1.CC(C)c1cnn(C[C@H](C)O)c1.CC(F)Oc1ncc(C(C)(C)C)cn1.CNC(=O)Cn1cc(C(C)C)cn1.Cc1cc(C(C)C)cnc1C.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C12H19N3O2.C11H15F2N.C11H17N.C10H15FN2O.2C10H18N2O.2C10H15N.C10H14.C9H12FN.C9H15N3O.2C9H16N2O.C9H14N2.4C9H13N.2C8H12N2/c1-10(2)11-7-13-15(8-11)9-12(16)14-3-5-17-6-4-14;1-8-5-6-9(11(2,3)4)7-14(8)10(12)13;1-5-12-8-11(9(2)3)7-6-10(12)4;1-7(11)14-9-12-5-8(6-13-9)10(2,3)4;2*1-8(2)9-5-11-12(6-9)7-10(3,4)13;1-7(2)10-5-8(3)9(4)11-6-10;1-8-5-6-9(7-11-8)10(2,3)4;1-8(2)10-6-4-5-9(3)7-10;1-9(2,3)7-4-8(10)6-11-5-7;1-7(2)8-4-11-12(5-8)6-9(13)10-3;2*1-7(2)9-4-10-11(6-9)5-8(3)12;1-7-10-5-8(6-11-7)9(2,3)4;4*1-7(2)9-5-4-8(3)10-6-9;2*1-6(2)8-4-9-7(3)10-5-8/h7-8,10H,3-6,9H2,1-2H3;5-7,10H,1H2,2-4H3;6-9H,4-5H2,1-3H3;5-7H,1-4H3;2*5-6,8,13H,7H2,1-4H3;2*5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;4-5,7H,6H2,1-3H3,(H,10,13);2*4,6-8,12H,5H2,1-3H3;5-6H,1-4H3;4*4-7H,1-3H3;2*4-6H,1-3H3/t;;;;;;;;;;;2*8-;;;;;;;/m...........10......./s1
InChIKeyJQXHHMVWEBKFIR-WYHNRBLXSA-N
MW3229.66 g/mol
LogP43.97
Rot. Bonds31

About 5-tert-butyl-1-(difluoromethyl)-2-methylidenepyridine;5-tert-butyl-2-(1-fluoroethoxy)pyrimidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;1-ethyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;bis(2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol);tetrakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;(2R)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;(2S)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol

5-tert-butyl-1-(difluoromethyl)-2-methylidenepyridine;5-tert-butyl-2-(1-fluoroethoxy)pyrimidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;1-ethyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;bis(2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol);tetrakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;(2R)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;(2S)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol (PubChem CID 158997422) has the molecular formula C191H295F4N31O8 and a molecular weight of 3229.66 g/mol. Its IUPAC name is 5-tert-butyl-1-(difluoromethyl)-2-methylidenepyridine;5-tert-butyl-2-(1-fluoroethoxy)pyrimidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;1-ethyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;bis(2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol);tetrakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;(2R)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;(2S)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name5-tert-butyl-1-(difluoromethyl)-2-methylidenepyridine;5-tert-butyl-2-(1-fluoroethoxy)pyrimidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;1-ethyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;bis(2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol);tetrakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;(2R)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;(2S)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol
PubChem CID158997422
Molecular FormulaC191H295F4N31O8
Molecular Weight3229.66 g/mol
Exact Mass3227.36
IUPAC Name5-tert-butyl-1-(difluoromethyl)-2-methylidenepyridine;5-tert-butyl-2-(1-fluoroethoxy)pyrimidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;1-ethyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;bis(2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol);tetrakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;(2R)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;(2S)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol
SMILESC=C1C=CC(C(C)(C)C)=CN1C(F)F.C=C1C=CC(C(C)C)=CN1CC.CC(C)(C)c1cncc(F)c1.CC(C)c1cnn(CC(=O)N2CCOCC2)c1.CC(C)c1cnn(CC(C)(C)O)c1.CC(C)c1cnn(CC(C)(C)O)c1.CC(C)c1cnn(C[C@@H](C)O)c1.CC(C)c1cnn(C[C@H](C)O)c1.CC(F)Oc1ncc(C(C)(C)C)cn1.CNC(=O)Cn1cc(C(C)C)cn1.Cc1cc(C(C)C)cnc1C.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C12H19N3O2.C11H15F2N.C11H17N.C10H15FN2O.2C10H18N2O.2C10H15N.C10H14.C9H12FN.C9H15N3O.2C9H16N2O.C9H14N2.4C9H13N.2C8H12N2/c1-10(2)11-7-13-15(8-11)9-12(16)14-3-5-17-6-4-14;1-8-5-6-9(11(2,3)4)7-14(8)10(12)13;1-5-12-8-11(9(2)3)7-6-10(12)4;1-7(11)14-9-12-5-8(6-13-9)10(2,3)4;2*1-8(2)9-5-11-12(6-9)7-10(3,4)13;1-7(2)10-5-8(3)9(4)11-6-10;1-8-5-6-9(7-11-8)10(2,3)4;1-8(2)10-6-4-5-9(3)7-10;1-9(2,3)7-4-8(10)6-11-5-7;1-7(2)8-4-11-12(5-8)6-9(13)10-3;2*1-7(2)9-4-10-11(6-9)5-8(3)12;1-7-10-5-8(6-11-7)9(2,3)4;4*1-7(2)9-5-4-8(3)10-6-9;2*1-6(2)8-4-9-7(3)10-5-8/h7-8,10H,3-6,9H2,1-2H3;5-7,10H,1H2,2-4H3;6-9H,4-5H2,1-3H3;5-7H,1-4H3;2*5-6,8,13H,7H2,1-4H3;2*5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;4-5,7H,6H2,1-3H3,(H,10,13);2*4,6-8,12H,5H2,1-3H3;5-6H,1-4H3;4*4-7H,1-3H3;2*4-6H,1-3H3/t;;;;;;;;;;;2*8-;;;;;;;/m...........10......./s1
InChIKeyJQXHHMVWEBKFIR-WYHNRBLXSA-N
XLogP43.97
TPSA455.54 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds31
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003229.66
LogP ≤ 543.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 5-tert-butyl-1-(difluoromethyl)-2-methylidenepyridine;5-tert-butyl-2-(1-fluoroethoxy)pyrimidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;1-ethyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;bis(2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol);tetrakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;(2R)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;(2S)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol with MolForge

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Related Compounds

tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[[2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyridin-4-ylimidazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide;N-(5-pyrimidin-4-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide;N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide
CID 157175782
(9S)-5-(1-cyclopropylpyrazol-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(5-fluoro-6-methyl-3-pyridinyl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 157217832
[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
(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;5-[4-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one;methane
CID 157365872
N-(3,3-difluorocyclobutyl)-5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[2-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one;N'-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]butane-1,4-diamine;N'-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]propane-1,3-diamine
CID 157415743
tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetate;4-ethyl-1-(2-methylpropyl)piperidine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetic acid;hydrochloride
CID 157440497
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
5-[1-(2,2-Difluoroethyl)pyrazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine;1-morpholin-4-yl-2-[4-[2-(3-pyridin-4-ylphenyl)pyrimidin-5-yl]pyrazol-1-yl]ethanone
CID 158279096
2-[4-(2-amino-4-pyridinyl)-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-isocyano-5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide);2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
CID 158331342
tert-butyl 2-(4-aminopyrazol-1-yl)acetate;tert-butyl 2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetate;4-ethyl-1-propylpiperidine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetic acid;4,4,4-trifluoro-1-[4-(2-iodo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 158420854
CID 158598881
CID 158598881
(Z)-N-(4-benzylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylprop-2-enamide;(E)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-(pyrazin-2-ylmethyl)prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide
CID 158614609

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(difluoromethyl)-2-methylidenepyridine;5-tert-butyl-2-(1-fluoroethoxy)pyrimidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;1-ethyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;bis(2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol);tetrakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;(2R)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;(2S)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 5-tert-butyl-1-(difluoromethyl)-2-methylidenepyridine;5-tert-butyl-2-(1-fluoroethoxy)pyrimidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;1-ethyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;bis(2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol);tetrakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;(2R)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;(2S)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol (CID 158997422) is 5-tert-butyl-1-(difluoromethyl)-2-methylidenepyridine;5-tert-butyl-2-(1-fluoroethoxy)pyrimidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;1-ethyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;bis(2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol);tetrakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;(2R)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;(2S)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 5-tert-butyl-1-(difluoromethyl)-2-methylidenepyridine;5-tert-butyl-2-(1-fluoroethoxy)pyrimidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;1-ethyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;bis(2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol);tetrakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;(2R)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;(2S)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 5-tert-butyl-1-(difluoromethyl)-2-methylidenepyridine;5-tert-butyl-2-(1-fluoroethoxy)pyrimidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;1-ethyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;bis(2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol);tetrakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;(2R)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;(2S)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol is C=C1C=CC(C(C)(C)C)=CN1C(F)F.C=C1C=CC(C(C)C)=CN1CC.CC(C)(C)c1cncc(F)c1.CC(C)c1cnn(CC(=O)N2CCOCC2)c1.CC(C)c1cnn(CC(C)(C)O)c1.CC(C)c1cnn(CC(C)(C)O)c1.CC(C)c1cnn(C[C@@H](C)O)c1.CC(C)c1cnn(C[C@H](C)O)c1.CC(F)Oc1ncc(C(C)(C)C)cn1.CNC(=O)Cn1cc(C(C)C)cn1.Cc1cc(C(C)C)cnc1C.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.
What is the InChIKey of 5-tert-butyl-1-(difluoromethyl)-2-methylidenepyridine;5-tert-butyl-2-(1-fluoroethoxy)pyrimidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;1-ethyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;bis(2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol);tetrakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;(2R)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;(2S)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol?
The InChIKey is JQXHHMVWEBKFIR-WYHNRBLXSA-N. The full InChI is InChI=1S/C12H19N3O2.C11H15F2N.C11H17N.C10H15FN2O.2C10H18N2O.2C10H15N.C10H14.C9H12FN.C9H15N3O.2C9H16N2O.C9H14N2.4C9H13N.2C8H12N2/c1-10(2)11-7-13-15(8-11)9-12(16)14-3-5-17-6-4-14;1-8-5-6-9(11(2,3)4)7-14(8)10(12)13;1-5-12-8-11(9(2)3)7-6-10(12)4;1-7(11)14-9-12-5-8(6-13-9)10(2,3)4;2*1-8(2)9-5-11-12(6-9)7-10(3,4)13;1-7(2)10-5-8(3)9(4)11-6-10;1-8-5-6-9(7-11-8)10(2,3)4;1-8(2)10-6-4-5-9(3)7-10;1-9(2,3)7-4-8(10)6-11-5-7;1-7(2)8-4-11-12(5-8)6-9(13)10-3;2*1-7(2)9-4-10-11(6-9)5-8(3)12;1-7-10-5-8(6-11-7)9(2,3)4;4*1-7(2)9-5-4-8(3)10-6-9;2*1-6(2)8-4-9-7(3)10-5-8/h7-8,10H,3-6,9H2,1-2H3;5-7,10H,1H2,2-4H3;6-9H,4-5H2,1-3H3;5-7H,1-4H3;2*5-6,8,13H,7H2,1-4H3;2*5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;4-5,7H,6H2,1-3H3,(H,10,13);2*4,6-8,12H,5H2,1-3H3;5-6H,1-4H3;4*4-7H,1-3H3;2*4-6H,1-3H3/t;;;;;;;;;;;2*8-;;;;;;;/m...........10......./s1.
What are the key properties of 5-tert-butyl-1-(difluoromethyl)-2-methylidenepyridine;5-tert-butyl-2-(1-fluoroethoxy)pyrimidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;1-ethyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;bis(2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol);tetrakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;(2R)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;(2S)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol?
5-tert-butyl-1-(difluoromethyl)-2-methylidenepyridine;5-tert-butyl-2-(1-fluoroethoxy)pyrimidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;1-ethyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;bis(2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol);tetrakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;(2R)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;(2S)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol has a molecular weight of 3229.66 g/mol, XLogP of 43.97, 31 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(difluoromethyl)-2-methylidenepyridine;5-tert-butyl-2-(1-fluoroethoxy)pyrimidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;2,3-dimethyl-5-propan-2-ylpyridine;1-ethyl-2-methylidene-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;N-methyl-2-(4-propan-2-ylpyrazol-1-yl)acetamide;bis(2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol);tetrakis(2-methyl-5-propan-2-ylpyridine);bis(2-methyl-5-propan-2-ylpyrimidine);1-morpholin-4-yl-2-(4-propan-2-ylpyrazol-1-yl)ethanone;(2R)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;(2S)-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 158997422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).