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;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-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;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N-methylcyclohexan-1-amine;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine

C159H254F3N31O11 — CID 162070568

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;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-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;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)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)c1cc(CC2CN(CC(N)=O)C2)ncn1.CC(C)(C)c1cnnc(OC2CCN(CC(F)(F)F)CC2)c1.CN(C)C(=O)CN1CC(Cc2cc(C(C)(C)C)ncn2)C1.CN1CCC(Oc2cc(C(C)(C)C)cnn2)CC1.CNC(=O)CN1CC(Cc2cc(C(C)(C)C)ncn2)C1.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.C18H28N2O2.C16H26N4O.C16H27N3.C16H26N2O.C15H22F3N3O.C15H24N4O.C14H22N4O.C14H21N3O.C14H23N3O/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(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)14-7-13(17-11-18-14)6-12-8-20(9-12)10-15(21)19(4)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;1-15(2,3)13-6-12(17-10-18-13)5-11-7-19(8-11)9-14(20)16-4;1-14(2,3)12-5-11(16-9-17-12)4-10-6-18(7-10)8-13(15)19;1-10(18)17-8-11(9-17)5-13-6-12(7-15-16-13)14(2,3)4;1-14(2,3)11-9-13(16-15-10-11)18-12-5-7-17(4)8-6-12/h14-15,17H,7-13H2,1-6H3;11-12,14H,6-10H2,1-5H3;7,11-12H,6,8-10H2,1-5H3;10-13,17H,5-9H2,1-4H3;10-12,14H,5-9H2,1-4H3;8-9,12H,4-7,10H2,1-3H3;6,10-11H,5,7-9H2,1-4H3,(H,16,20);5,9-10H,4,6-8H2,1-3H3,(H2,15,19);6-7,11H,5,8-9H2,1-4H3;9-10,12H,5-8H2,1-4H3
InChIKeyZBAFXXCPYDDEDD-UHFFFAOYSA-N
MW2832.98 g/mol
LogP23.21
Rot. Bonds34

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;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-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;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;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-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;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 162070568) has the molecular formula C159H254F3N31O11 and a molecular weight of 2832.98 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;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-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;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;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-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;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 CID162070568
Molecular FormulaC159H254F3N31O11
Molecular Weight2832.98 g/mol
Exact Mass2831.02
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;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-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;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)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)c1cc(CC2CN(CC(N)=O)C2)ncn1.CC(C)(C)c1cnnc(OC2CCN(CC(F)(F)F)CC2)c1.CN(C)C(=O)CN1CC(Cc2cc(C(C)(C)C)ncn2)C1.CN1CCC(Oc2cc(C(C)(C)C)cnn2)CC1.CNC(=O)CN1CC(Cc2cc(C(C)(C)C)ncn2)C1.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.C18H28N2O2.C16H26N4O.C16H27N3.C16H26N2O.C15H22F3N3O.C15H24N4O.C14H22N4O.C14H21N3O.C14H23N3O/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(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)14-7-13(17-11-18-14)6-12-8-20(9-12)10-15(21)19(4)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;1-15(2,3)13-6-12(17-10-18-13)5-11-7-19(8-11)9-14(20)16-4;1-14(2,3)12-5-11(16-9-17-12)4-10-6-18(7-10)8-13(15)19;1-10(18)17-8-11(9-17)5-13-6-12(7-15-16-13)14(2,3)4;1-14(2,3)11-9-13(16-15-10-11)18-12-5-7-17(4)8-6-12/h14-15,17H,7-13H2,1-6H3;11-12,14H,6-10H2,1-5H3;7,11-12H,6,8-10H2,1-5H3;10-13,17H,5-9H2,1-4H3;10-12,14H,5-9H2,1-4H3;8-9,12H,4-7,10H2,1-3H3;6,10-11H,5,7-9H2,1-4H3,(H,16,20);5,9-10H,4,6-8H2,1-3H3,(H2,15,19);6-7,11H,5,8-9H2,1-4H3;9-10,12H,5-8H2,1-4H3
InChIKeyZBAFXXCPYDDEDD-UHFFFAOYSA-N
XLogP23.21
TPSA463.07 Ų
H-Bond Donors3
H-Bond Acceptors36
Rotatable Bonds34
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002832.98
LogP ≤ 523.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1036

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;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-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;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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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;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;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;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 158867438
4-tert-butyl-6-[[1-(2-ethylsulfanylethyl)azetidin-3-yl]methyl]pyrimidine;4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;4-tert-butyl-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine;4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-amine;bis(4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexan-1-ol);N-[4-[(6-tert-butylpyrimidin-4-yl)methyl]cyclohexyl]acetamide;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine;4-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclohexane-1-carboxamide;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-2-ol;1-[(3R)-3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;methane
CID 160893717
1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]ethanone
CID 118546878
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;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;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;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 158333276
6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[[1-(2-amino-2-oxoethyl)azetidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-[2-(dimethylamino)-2-oxoethyl]azetidin-3-yl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-ethylsulfonylethylamino)methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)-methylamino]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-[2-(methylamino)-2-oxoethyl]azetidin-3-yl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(1-methylpiperidin-4-yl)oxypyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-piperidin-4-yloxypyridazine-4-carboxamide
CID 161085866
2-tert-butyl-4-fluoro-1H-indene;4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 158260400
1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]propan-1-one
CID 118546910
4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl-methylamino]propan-2-one;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine;methane
CID 157271261
1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 118546911
4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 160595346
1-[(3S)-3-[[6-(methylamino)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 95841407
1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95830306

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;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-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;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;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-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;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 162070568) 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;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-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;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;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-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;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;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-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;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)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)c1cc(CC2CN(CC(N)=O)C2)ncn1.CC(C)(C)c1cnnc(OC2CCN(CC(F)(F)F)CC2)c1.CN(C)C(=O)CN1CC(Cc2cc(C(C)(C)C)ncn2)C1.CN1CCC(Oc2cc(C(C)(C)C)cnn2)CC1.CNC(=O)CN1CC(Cc2cc(C(C)(C)C)ncn2)C1.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;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-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;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 ZBAFXXCPYDDEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2.C18H28N2O2.C16H26N4O.C16H27N3.C16H26N2O.C15H22F3N3O.C15H24N4O.C14H22N4O.C14H21N3O.C14H23N3O/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(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)14-7-13(17-11-18-14)6-12-8-20(9-12)10-15(21)19(4)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;1-15(2,3)13-6-12(17-10-18-13)5-11-7-19(8-11)9-14(20)16-4;1-14(2,3)12-5-11(16-9-17-12)4-10-6-18(7-10)8-13(15)19;1-10(18)17-8-11(9-17)5-13-6-12(7-15-16-13)14(2,3)4;1-14(2,3)11-9-13(16-15-10-11)18-12-5-7-17(4)8-6-12/h14-15,17H,7-13H2,1-6H3;11-12,14H,6-10H2,1-5H3;7,11-12H,6,8-10H2,1-5H3;10-13,17H,5-9H2,1-4H3;10-12,14H,5-9H2,1-4H3;8-9,12H,4-7,10H2,1-3H3;6,10-11H,5,7-9H2,1-4H3,(H,16,20);5,9-10H,4,6-8H2,1-3H3,(H2,15,19);6-7,11H,5,8-9H2,1-4H3;9-10,12H,5-8H2,1-4H3.
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;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-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;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;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-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;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 2832.98 g/mol, XLogP of 23.21, 34 rotatable bonds, 3 hydrogen bond donors, and 36 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;5-tert-butyl-3-(1-methylpiperidin-4-yl)oxypyridazine;1-[3-[(5-tert-butylpyridazin-3-yl)methyl]azetidin-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;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 162070568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).