1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-ethyl-N-methylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine

C136H219F3N22O8 — CID 160519221

IUPAC1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-ethyl-N-methylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine
SMILESCC(=O)N(C)C1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CC(=O)N1CC(Cc2cc(C(C)(C)C)cnn2)C1.CC(=O)N1CCC(Cc2cc(C(C)(C)C)cc(OCCN(C)C)n2)CC1.CC(C)(C)c1cnnc(OC2CCN(CC(F)(F)F)CC2)c1.CCN(C)C1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CNC1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.COC1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.COc1cc(C(C)(C)C)cc(CC2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C21H35N3O2.C18H29N3O.C18H31N3.C18H28N2O2.C16H27N3.C16H26N2O.C15H22F3N3O.C14H21N3O/c1-16(25)24-9-7-17(8-10-24)13-19-14-18(21(2,3)4)15-20(22-19)26-12-11-23(5)6;1-13(22)21(5)16-8-6-14(7-9-16)10-15-11-17(18(2,3)4)20-12-19-15;1-6-21(5)16-9-7-14(8-10-16)11-15-12-17(18(2,3)4)20-13-19-15;1-13(21)20-8-6-14(7-9-20)10-16-11-15(18(2,3)4)12-17(19-16)22-5;1-16(2,3)15-10-14(18-11-19-15)9-12-5-7-13(17-4)8-6-12;1-16(2,3)15-10-13(17-11-18-15)9-12-5-7-14(19-4)8-6-12;1-14(2,3)11-8-13(20-19-9-11)22-12-4-6-21(7-5-12)10-15(16,17)18;1-10(18)17-8-11(9-17)5-13-6-12(7-15-16-13)14(2,3)4/h14-15,17H,7-13H2,1-6H3;11-12,14,16H,6-10H2,1-5H3;12-14,16H,6-11H2,1-5H3;11-12,14H,6-10H2,1-5H3;10-13,17H,5-9H2,1-4H3;10-12,14H,5-9H2,1-4H3;8-9,12H,4-7,10H2,1-3H3;6-7,11H,5,8-9H2,1-4H3
InChIKeyQUBBDCXMGLEBRJ-UHFFFAOYSA-N
MW2347.39 g/mol
LogP25.08
Rot. Bonds27

About 1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-ethyl-N-methylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine

1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-ethyl-N-methylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine (PubChem CID 160519221) has the molecular formula C136H219F3N22O8 and a molecular weight of 2347.39 g/mol. Its IUPAC name is 1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-ethyl-N-methylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine.

Molecular Properties

Compound Name1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-ethyl-N-methylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine
PubChem CID160519221
Molecular FormulaC136H219F3N22O8
Molecular Weight2347.39 g/mol
Exact Mass2345.74
IUPAC Name1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-ethyl-N-methylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine
SMILESCC(=O)N(C)C1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CC(=O)N1CC(Cc2cc(C(C)(C)C)cnn2)C1.CC(=O)N1CCC(Cc2cc(C(C)(C)C)cc(OCCN(C)C)n2)CC1.CC(C)(C)c1cnnc(OC2CCN(CC(F)(F)F)CC2)c1.CCN(C)C1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CNC1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.COC1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.COc1cc(C(C)(C)C)cc(CC2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C21H35N3O2.C18H29N3O.C18H31N3.C18H28N2O2.C16H27N3.C16H26N2O.C15H22F3N3O.C14H21N3O/c1-16(25)24-9-7-17(8-10-24)13-19-14-18(21(2,3)4)15-20(22-19)26-12-11-23(5)6;1-13(22)21(5)16-8-6-14(7-9-16)10-15-11-17(18(2,3)4)20-12-19-15;1-6-21(5)16-9-7-14(8-10-16)11-15-12-17(18(2,3)4)20-13-19-15;1-13(21)20-8-6-14(7-9-20)10-16-11-15(18(2,3)4)12-17(19-16)22-5;1-16(2,3)15-10-14(18-11-19-15)9-12-5-7-13(17-4)8-6-12;1-16(2,3)15-10-13(17-11-18-15)9-12-5-7-14(19-4)8-6-12;1-14(2,3)11-8-13(20-19-9-11)22-12-4-6-21(7-5-12)10-15(16,17)18;1-10(18)17-8-11(9-17)5-13-6-12(7-15-16-13)14(2,3)4/h14-15,17H,7-13H2,1-6H3;11-12,14,16H,6-10H2,1-5H3;12-14,16H,6-11H2,1-5H3;11-12,14H,6-10H2,1-5H3;10-13,17H,5-9H2,1-4H3;10-12,14H,5-9H2,1-4H3;8-9,12H,4-7,10H2,1-3H3;6-7,11H,5,8-9H2,1-4H3
InChIKeyQUBBDCXMGLEBRJ-UHFFFAOYSA-N
XLogP25.08
TPSA320.37 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002347.39
LogP ≤ 525.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-ethyl-N-methylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine with MolForge

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Launch Full Analysis

Related Compounds

4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157609237
1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;6-tert-butyl-N-(4-methoxycyclohexyl)-N-methylpyrimidin-4-amine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;5-tert-butyl-3-piperidin-4-yloxypyridazine;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]acetamide;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-N,N-dimethylacetamide;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-N-methylacetamide;[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-piperidin-1-ylmethanone;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine
CID 157992030
1-[(3R)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;benzyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;methyl (3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 158048024
2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone
CID 158175991
4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]acetamide;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-N,N-dimethylacetamide;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-N-methylacetamide;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine
CID 158221484
3-cyclopropyl-6-propan-2-ylpyridazine;2-(difluoromethoxy)propane;2,2-difluoro-3-methylbutane;N,2-dimethylpropanamide;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane
CID 158278460
2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone;[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclopropylmethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-3-methylbutan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-cyclopropylmethanone
CID 158643167
N-butyl-4-tert-butylpyridin-2-amine;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 159028960
4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 159301631
2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone
CID 159380377
6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-N-[[4-(2,2-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)phenyl]methyl]pyridazin-3-amine;6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-N-[[4-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phenyl]methyl]pyridazin-3-amine;6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-N-[[5-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]methyl]pyridazin-3-amine;6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]pyridazin-3-amine;N-methyl-N-[1-[4-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]phenyl]piperidin-4-yl]acetamide;N-[[4-(4-prop-1-en-2-ylpiperazin-1-yl)phenyl]methyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-amine;N-[[6-(4-prop-1-en-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-amine
CID 159512123
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-[6-(3-benzylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 159669590

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-ethyl-N-methylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine?
The IUPAC name of 1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-ethyl-N-methylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine (CID 160519221) is 1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-ethyl-N-methylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine.
What is the SMILES notation for 1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-ethyl-N-methylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine?
The canonical SMILES for 1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-ethyl-N-methylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine is CC(=O)N(C)C1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CC(=O)N1CC(Cc2cc(C(C)(C)C)cnn2)C1.CC(=O)N1CCC(Cc2cc(C(C)(C)C)cc(OCCN(C)C)n2)CC1.CC(C)(C)c1cnnc(OC2CCN(CC(F)(F)F)CC2)c1.CCN(C)C1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.CNC1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.COC1CCC(Cc2cc(C(C)(C)C)ncn2)CC1.COc1cc(C(C)(C)C)cc(CC2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-ethyl-N-methylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine?
The InChIKey is QUBBDCXMGLEBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2.C18H29N3O.C18H31N3.C18H28N2O2.C16H27N3.C16H26N2O.C15H22F3N3O.C14H21N3O/c1-16(25)24-9-7-17(8-10-24)13-19-14-18(21(2,3)4)15-20(22-19)26-12-11-23(5)6;1-13(22)21(5)16-8-6-14(7-9-16)10-15-11-17(18(2,3)4)20-12-19-15;1-6-21(5)16-9-7-14(8-10-16)11-15-12-17(18(2,3)4)20-13-19-15;1-13(21)20-8-6-14(7-9-20)10-16-11-15(18(2,3)4)12-17(19-16)22-5;1-16(2,3)15-10-14(18-11-19-15)9-12-5-7-13(17-4)8-6-12;1-16(2,3)15-10-13(17-11-18-15)9-12-5-7-14(19-4)8-6-12;1-14(2,3)11-8-13(20-19-9-11)22-12-4-6-21(7-5-12)10-15(16,17)18;1-10(18)17-8-11(9-17)5-13-6-12(7-15-16-13)14(2,3)4/h14-15,17H,7-13H2,1-6H3;11-12,14,16H,6-10H2,1-5H3;12-14,16H,6-11H2,1-5H3;11-12,14H,6-10H2,1-5H3;10-13,17H,5-9H2,1-4H3;10-12,14H,5-9H2,1-4H3;8-9,12H,4-7,10H2,1-3H3;6-7,11H,5,8-9H2,1-4H3.
What are the key properties of 1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-ethyl-N-methylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine?
1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-ethyl-N-methylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine has a molecular weight of 2347.39 g/mol, XLogP of 25.08, 27 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-tert-butyl-6-[2-(dimethylamino)ethoxy]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-1-yl]ethanone;N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]-N-methylacetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-ethyl-N-methylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine is sourced from PubChem (CID 160519221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).