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

C136H212FN19O13S3 — CID 158260400

IUPAC2-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
SMILESCC(=O)N(C)CCN(C)c1cc(C(C)(C)C)ccn1.CC(=O)N1CCC(Oc2cc(C(C)(C)C)ncn2)CC1.CC(=O)N1CC[C@@H](Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)C1=Cc2c(F)cccc2C1.CC(C)(C)c1cc(CC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1cc(OC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1cncc(OC2CCN(S(C)(=O)=O)CC2)c1.CN1CCC(CCc2cc(C(C)(C)C)ccn2)CC1.CN1CCC(Oc2cncc(C(C)(C)C)c2)CC1
InChIInChI=1S/C17H28N2.C17H25NO.C15H25N3O2S.C15H23N3O2.C15H25N3O.C15H24N2O3S.C15H24N2O.C14H23N3O3S.C13H15F/c1-17(2,3)15-7-10-18-16(13-15)6-5-14-8-11-19(4)12-9-14;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-15(2,3)14-10-13(16-11-17-14)9-12-5-7-18(8-6-12)21(4,19)20;1-11(19)18-7-5-12(6-8-18)20-14-9-13(15(2,3)4)16-10-17-14;1-12(19)17(5)9-10-18(6)14-11-13(7-8-16-14)15(2,3)4;1-15(2,3)12-9-14(11-16-10-12)20-13-5-7-17(8-6-13)21(4,18)19;1-15(2,3)12-9-14(11-16-10-12)18-13-5-7-17(4)8-6-13;1-14(2,3)12-9-13(16-10-15-12)20-11-5-7-17(8-6-11)21(4,18)19;1-13(2,3)10-7-9-5-4-6-12(14)11(9)8-10/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3;5-7,11,15H,8-10,12H2,1-4H3;10-12H,5-9H2,1-4H3;9-10,12H,5-8H2,1-4H3;7-8,11H,9-10H2,1-6H3;9-11,13H,5-8H2,1-4H3;9-11,13H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;4-6,8H,7H2,1-3H3/t;15-;;;;;;;/m.0......./s1
InChIKeyGHUOHVPBJPFGAB-RNPYQVERSA-N
MW2436.51 g/mol
LogP23.92
Rot. Bonds22

About 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

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 (PubChem CID 158260400) has the molecular formula C136H212FN19O13S3 and a molecular weight of 2436.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158260400
Molecular FormulaC136H212FN19O13S3
Molecular Weight2436.51 g/mol
Exact Mass2434.57
IUPAC Name2-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
SMILESCC(=O)N(C)CCN(C)c1cc(C(C)(C)C)ccn1.CC(=O)N1CCC(Oc2cc(C(C)(C)C)ncn2)CC1.CC(=O)N1CC[C@@H](Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)C1=Cc2c(F)cccc2C1.CC(C)(C)c1cc(CC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1cc(OC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1cncc(OC2CCN(S(C)(=O)=O)CC2)c1.CN1CCC(CCc2cc(C(C)(C)C)ccn2)CC1.CN1CCC(Oc2cncc(C(C)(C)C)c2)CC1
InChIInChI=1S/C17H28N2.C17H25NO.C15H25N3O2S.C15H23N3O2.C15H25N3O.C15H24N2O3S.C15H24N2O.C14H23N3O3S.C13H15F/c1-17(2,3)15-7-10-18-16(13-15)6-5-14-8-11-19(4)12-9-14;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-15(2,3)14-10-13(16-11-17-14)9-12-5-7-18(8-6-12)21(4,19)20;1-11(19)18-7-5-12(6-8-18)20-14-9-13(15(2,3)4)16-10-17-14;1-12(19)17(5)9-10-18(6)14-11-13(7-8-16-14)15(2,3)4;1-15(2,3)12-9-14(11-16-10-12)20-13-5-7-17(8-6-13)21(4,18)19;1-15(2,3)12-9-14(11-16-10-12)18-13-5-7-17(4)8-6-13;1-14(2,3)12-9-13(16-10-15-12)20-11-5-7-17(8-6-11)21(4,18)19;1-13(2,3)10-7-9-5-4-6-12(14)11(9)8-10/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3;5-7,11,15H,8-10,12H2,1-4H3;10-12H,5-9H2,1-4H3;9-10,12H,5-8H2,1-4H3;7-8,11H,9-10H2,1-6H3;9-11,13H,5-8H2,1-4H3;9-11,13H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;4-6,8H,7H2,1-3H3/t;15-;;;;;;;/m.0......./s1
InChIKeyGHUOHVPBJPFGAB-RNPYQVERSA-N
XLogP23.92
TPSA348.61 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002436.51
LogP ≤ 523.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine
CID 158436827
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
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-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
6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;6-(3-tert-butylphenoxy)hexan-2-one;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;2-[(4-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylethanamine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158703441
1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 157265022
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-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]ethanone
CID 118546878
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;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)methyl]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-butylquinoline;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;4-tert-butyl-2-(6,6,6-trifluorohexyl)pyridine
CID 162258240
3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 159880860
4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole
CID 158067148
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N(C)CCN(C)c1cc(C(C)(C)C)ccn1.CC(=O)N1CCC(Oc2cc(C(C)(C)C)ncn2)CC1.CC(=O)N1CC[C@@H](Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)C1=Cc2c(F)cccc2C1.CC(C)(C)c1cc(CC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1cc(OC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1cncc(OC2CCN(S(C)(=O)=O)CC2)c1.CN1CCC(CCc2cc(C(C)(C)C)ccn2)CC1.CN1CCC(Oc2cncc(C(C)(C)C)c2)CC1.
What is the InChIKey of 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?
The InChIKey is GHUOHVPBJPFGAB-RNPYQVERSA-N. The full InChI is InChI=1S/C17H28N2.C17H25NO.C15H25N3O2S.C15H23N3O2.C15H25N3O.C15H24N2O3S.C15H24N2O.C14H23N3O3S.C13H15F/c1-17(2,3)15-7-10-18-16(13-15)6-5-14-8-11-19(4)12-9-14;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-15(2,3)14-10-13(16-11-17-14)9-12-5-7-18(8-6-12)21(4,19)20;1-11(19)18-7-5-12(6-8-18)20-14-9-13(15(2,3)4)16-10-17-14;1-12(19)17(5)9-10-18(6)14-11-13(7-8-16-14)15(2,3)4;1-15(2,3)12-9-14(11-16-10-12)20-13-5-7-17(8-6-13)21(4,18)19;1-15(2,3)12-9-14(11-16-10-12)18-13-5-7-17(4)8-6-13;1-14(2,3)12-9-13(16-10-15-12)20-11-5-7-17(8-6-11)21(4,18)19;1-13(2,3)10-7-9-5-4-6-12(14)11(9)8-10/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3;5-7,11,15H,8-10,12H2,1-4H3;10-12H,5-9H2,1-4H3;9-10,12H,5-8H2,1-4H3;7-8,11H,9-10H2,1-6H3;9-11,13H,5-8H2,1-4H3;9-11,13H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;4-6,8H,7H2,1-3H3/t;15-;;;;;;;/m.0......./s1.
What are the key properties of 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?
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 has a molecular weight of 2436.51 g/mol, XLogP of 23.92, 22 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158260400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).