4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone

C145H200ClN13O10S3 — CID 160738065

IUPAC4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone
SMILESCC(=O)CN(C)CCOc1cccc(C(C)(C)C)c1.CC(=O)N1CC(Nc2cc(C(C)(C)C)ccn2)C1.CC(C)(C)c1cc(CC2CNC2)ncn1.CC(C)(C)c1cc2cccc(Cl)c2[nH]1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc(CC2CN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(C[C@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1nccc2ccccc12
InChIInChI=1S/C16H25NO2S.C16H25NO2.C15H23NO2S.C14H21N3O.C13H15N.C12H14ClN.C12H19N3.C12H15N.C12H16O2.C12H14O.C11H13NS/c1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-13(18)12-17(5)9-10-19-15-8-6-7-14(11-15)16(2,3)4;1-15(2,3)14-7-5-6-12(9-14)8-13-10-16(11-13)19(4,17)18;1-10(18)17-8-12(9-17)16-13-7-11(5-6-15-13)14(2,3)4;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-5-10(14-8-15-11)4-9-6-13-7-9;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h5-7,11,14H,8-10,12H2,1-4H3;6-8,11H,9-10,12H2,1-5H3;5-7,9,13H,8,10-11H2,1-4H3;5-7,12H,8-9H2,1-4H3,(H,15,16);4-9H,1-3H3;4-7,14H,1-3H3;5,8-9,13H,4,6-7H2,1-3H3;4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3/t14-;;;;;;;;;;/m1........../s1
InChIKeyRVFCLWHNSCQTID-WGBIJCMHSA-N
MW2416.93 g/mol
LogP32.86
Rot. Bonds16

About 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone

4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone (PubChem CID 160738065) has the molecular formula C145H200ClN13O10S3 and a molecular weight of 2416.93 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone
PubChem CID160738065
Molecular FormulaC145H200ClN13O10S3
Molecular Weight2416.93 g/mol
Exact Mass2414.44
IUPAC Name4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone
SMILESCC(=O)CN(C)CCOc1cccc(C(C)(C)C)c1.CC(=O)N1CC(Nc2cc(C(C)(C)C)ccn2)C1.CC(C)(C)c1cc(CC2CNC2)ncn1.CC(C)(C)c1cc2cccc(Cl)c2[nH]1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc(CC2CN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(C[C@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1nccc2ccccc12
InChIInChI=1S/C16H25NO2S.C16H25NO2.C15H23NO2S.C14H21N3O.C13H15N.C12H14ClN.C12H19N3.C12H15N.C12H16O2.C12H14O.C11H13NS/c1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-13(18)12-17(5)9-10-19-15-8-6-7-14(11-15)16(2,3)4;1-15(2,3)14-7-5-6-12(9-14)8-13-10-16(11-13)19(4,17)18;1-10(18)17-8-12(9-17)16-13-7-11(5-6-15-13)14(2,3)4;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-5-10(14-8-15-11)4-9-6-13-7-9;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h5-7,11,14H,8-10,12H2,1-4H3;6-8,11H,9-10,12H2,1-5H3;5-7,9,13H,8,10-11H2,1-4H3;5-7,12H,8-9H2,1-4H3,(H,15,16);4-9H,1-3H3;4-7,14H,1-3H3;5,8-9,13H,4,6-7H2,1-3H3;4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3/t14-;;;;;;;;;;/m1........../s1
InChIKeyRVFCLWHNSCQTID-WGBIJCMHSA-N
XLogP32.86
TPSA276.30 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002416.93
LogP ≤ 532.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 157326688
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
CID 158174447
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 158193775
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 158386084
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;methane;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
CID 159448199
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
CID 160009331
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
CID 160029599
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 160221961
CID 160753415
CID 160753415
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 161035737
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 161288800
CID 161396757
CID 161396757

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone?
The IUPAC name of 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone (CID 160738065) is 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone.
What is the SMILES notation for 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone?
The canonical SMILES for 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone is CC(=O)CN(C)CCOc1cccc(C(C)(C)C)c1.CC(=O)N1CC(Nc2cc(C(C)(C)C)ccn2)C1.CC(C)(C)c1cc(CC2CNC2)ncn1.CC(C)(C)c1cc2cccc(Cl)c2[nH]1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc(CC2CN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(C[C@H]2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1nccc2ccccc12.
What is the InChIKey of 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone?
The InChIKey is RVFCLWHNSCQTID-WGBIJCMHSA-N. The full InChI is InChI=1S/C16H25NO2S.C16H25NO2.C15H23NO2S.C14H21N3O.C13H15N.C12H14ClN.C12H19N3.C12H15N.C12H16O2.C12H14O.C11H13NS/c1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-13(18)12-17(5)9-10-19-15-8-6-7-14(11-15)16(2,3)4;1-15(2,3)14-7-5-6-12(9-14)8-13-10-16(11-13)19(4,17)18;1-10(18)17-8-12(9-17)16-13-7-11(5-6-15-13)14(2,3)4;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-5-10(14-8-15-11)4-9-6-13-7-9;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h5-7,11,14H,8-10,12H2,1-4H3;6-8,11H,9-10,12H2,1-5H3;5-7,9,13H,8,10-11H2,1-4H3;5-7,12H,8-9H2,1-4H3,(H,15,16);4-9H,1-3H3;4-7,14H,1-3H3;5,8-9,13H,4,6-7H2,1-3H3;4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3/t14-;;;;;;;;;;/m1........../s1.
What are the key properties of 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone?
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone has a molecular weight of 2416.93 g/mol, XLogP of 32.86, 16 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone is sourced from PubChem (CID 160738065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).