2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;4-tert-butyl-2-[[1-(2,2-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methylpyridine;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one

C131H203ClF5N25O4 — CID 159982810

IUPAC2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;4-tert-butyl-2-[[1-(2,2-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methylpyridine;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
SMILESCC(C)(C)c1cc(NC2COC2)nc(C(F)(F)F)n1.CC(C)(C)c1cn2nc(Cl)ccc2n1.CCC(=O)N1CCC(Nc2cc(C(C)(C)C)ncn2)CC1.CCCC(=O)N1CCC(Nc2cc(C(C)(C)C)ncn2)CC1.Cc1cnc(CC2CCN(C)C2)cc1C(C)(C)C.Cc1cnc(CC2CCN(CC(C)(F)F)C2)cc1C(C)(C)C.Cc1cnc(CC2CCNC2)cc1C(C)(C)C.Cc1cnc(CC2CN(C)C2)cc1C(C)(C)C.Cc1nc(NC2COC2)cc(C(C)(C)C)n1
InChIInChI=1S/C18H28F2N2.C17H28N4O.C16H26N4O.C16H26N2.2C15H24N2.C12H16F3N3O.C12H19N3O.C10H12ClN3/c1-13-10-21-15(9-16(13)17(2,3)4)8-14-6-7-22(11-14)12-18(5,19)20;1-5-6-16(22)21-9-7-13(8-10-21)20-15-11-14(17(2,3)4)18-12-19-15;1-5-15(21)20-8-6-12(7-9-20)19-14-10-13(16(2,3)4)17-11-18-14;1-12-10-17-14(9-15(12)16(2,3)4)8-13-6-7-18(5)11-13;1-11-8-16-13(6-12-9-17(5)10-12)7-14(11)15(2,3)4;1-11-9-17-13(7-12-5-6-16-10-12)8-14(11)15(2,3)4;1-11(2,3)8-4-9(16-7-5-19-6-7)18-10(17-8)12(13,14)15;1-8-13-10(12(2,3)4)5-11(14-8)15-9-6-16-7-9;1-10(2,3)7-6-14-9(12-7)5-4-8(11)13-14/h9-10,14H,6-8,11-12H2,1-5H3;11-13H,5-10H2,1-4H3,(H,18,19,20);10-12H,5-9H2,1-4H3,(H,17,18,19);9-10,13H,6-8,11H2,1-5H3;7-8,12H,6,9-10H2,1-5H3;8-9,12,16H,5-7,10H2,1-4H3;4,7H,5-6H2,1-3H3,(H,16,17,18);5,9H,6-7H2,1-4H3,(H,13,14,15);4-6H,1-3H3
InChIKeyOFZHPBRXRNODPT-UHFFFAOYSA-N
MW2322.68 g/mol
LogP25.76
Rot. Bonds21

About 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;4-tert-butyl-2-[[1-(2,2-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methylpyridine;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one

2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;4-tert-butyl-2-[[1-(2,2-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methylpyridine;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one (PubChem CID 159982810) has the molecular formula C131H203ClF5N25O4 and a molecular weight of 2322.68 g/mol. Its IUPAC name is 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;4-tert-butyl-2-[[1-(2,2-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methylpyridine;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;4-tert-butyl-2-[[1-(2,2-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methylpyridine;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
PubChem CID159982810
Molecular FormulaC131H203ClF5N25O4
Molecular Weight2322.68 g/mol
Exact Mass2320.61
IUPAC Name2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;4-tert-butyl-2-[[1-(2,2-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methylpyridine;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
SMILESCC(C)(C)c1cc(NC2COC2)nc(C(F)(F)F)n1.CC(C)(C)c1cn2nc(Cl)ccc2n1.CCC(=O)N1CCC(Nc2cc(C(C)(C)C)ncn2)CC1.CCCC(=O)N1CCC(Nc2cc(C(C)(C)C)ncn2)CC1.Cc1cnc(CC2CCN(C)C2)cc1C(C)(C)C.Cc1cnc(CC2CCN(CC(C)(F)F)C2)cc1C(C)(C)C.Cc1cnc(CC2CCNC2)cc1C(C)(C)C.Cc1cnc(CC2CN(C)C2)cc1C(C)(C)C.Cc1nc(NC2COC2)cc(C(C)(C)C)n1
InChIInChI=1S/C18H28F2N2.C17H28N4O.C16H26N4O.C16H26N2.2C15H24N2.C12H16F3N3O.C12H19N3O.C10H12ClN3/c1-13-10-21-15(9-16(13)17(2,3)4)8-14-6-7-22(11-14)12-18(5,19)20;1-5-6-16(22)21-9-7-13(8-10-21)20-15-11-14(17(2,3)4)18-12-19-15;1-5-15(21)20-8-6-12(7-9-20)19-14-10-13(16(2,3)4)17-11-18-14;1-12-10-17-14(9-15(12)16(2,3)4)8-13-6-7-18(5)11-13;1-11-8-16-13(6-12-9-17(5)10-12)7-14(11)15(2,3)4;1-11-9-17-13(7-12-5-6-16-10-12)8-14(11)15(2,3)4;1-11(2,3)8-4-9(16-7-5-19-6-7)18-10(17-8)12(13,14)15;1-8-13-10(12(2,3)4)5-11(14-8)15-9-6-16-7-9;1-10(2,3)7-6-14-9(12-7)5-4-8(11)13-14/h9-10,14H,6-8,11-12H2,1-5H3;11-13H,5-10H2,1-4H3,(H,18,19,20);10-12H,5-9H2,1-4H3,(H,17,18,19);9-10,13H,6-8,11H2,1-5H3;7-8,12H,6,9-10H2,1-5H3;8-9,12,16H,5-7,10H2,1-4H3;4,7H,5-6H2,1-3H3,(H,16,17,18);5,9H,6-7H2,1-4H3,(H,13,14,15);4-6H,1-3H3
InChIKeyOFZHPBRXRNODPT-UHFFFAOYSA-N
XLogP25.76
TPSA313.82 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002322.68
LogP ≤ 525.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;4-tert-butyl-2-[[1-(2,2-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methylpyridine;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]-7-[3-[(2R)-1-[3-(dimethylcarbamoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-2,5-difluorophenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxyazetidine-1-carboxamide
CID 129103666
N-[2-[3-[2-(2,4-dichlorophenyl)-2-[6-[3-[5-[2-(2,4-dichlorophenyl)-2-[6-[3-[1-[2-(methanesulfonamido)ethyl]piperidin-3-yl]azetidin-1-yl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]-1-[2-(propan-2-ylsulfonylamino)ethyl]piperidin-3-yl]azetidin-1-yl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]-5-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]-2-methylpropanamide
CID 134225200
methyl N-[2-[(3S)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)-2-[(5R)-5-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]-1-[2-(methoxycarbonylamino)ethyl]piperidin-3-yl]ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]carbamate
CID 134225460
N-[(2S)-1-[(5R)-3-[(2R)-2-[6-[3-[(3R)-1-[(2R)-2-acetamidopropyl]-5-[(2R)-2-(2,4-dichlorophenyl)-2-[6-[3-[(3R)-1-[(2S)-2-hydroxypropyl]piperidin-3-yl]azetidin-1-yl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]piperidin-3-yl]azetidin-1-yl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]-2-(2,4-dichlorophenyl)ethyl]-5-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-yl]acetamide
CID 134225490
N-[2-[(3S)-3-[1-[1-[(1R)-2-[(5S)-1-(2-acetamidoethyl)-5-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-3-yl]-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]acetamide
CID 134225512
CID 142279209
CID 142279209
1-[6-[1-[[2-(4-chloro-2-fluorophenyl)acetyl]-[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]amino]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N-[(4-chloro-2-fluorophenyl)methyl]azetidine-3-carboxamide
CID 145014978
N-tert-butylacetamide;N-tert-butylcyclopropanecarboxamide;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;N-tert-butyl-2-methylpropanamide;N-tert-butyl-1-methylpyrazol-3-amine;N-tert-butyl-1-methylpyrazol-4-amine;N-tert-butyl-2-methylpyrazol-3-amine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;N-tert-butyloxetan-3-amine;N-tert-butylpropanamide;N-tert-butylpyridin-2-amine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1,1-difluoro-2,2-dimethylpropane;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;2-methylpropan-2-amine;2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine;1,1,1-trifluoro-2,2-dimethylpropane
CID 157378933
N-[2-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]acetamide;N-[2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]acetamide
CID 157511763
N-[2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]acetamide;N-[2-[(3S)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]acetamide
CID 157511764
N-[2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]-2-methylpropanamide;N-[2-[(3S)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]-2-methylpropanamide;N-[2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]-2-methylpropanamide;N-[2-[(3S)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]-2-methylpropanamide
CID 157643858
4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
CID 157701345

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;4-tert-butyl-2-[[1-(2,2-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methylpyridine;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;4-tert-butyl-2-[[1-(2,2-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methylpyridine;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one (CID 159982810) is 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;4-tert-butyl-2-[[1-(2,2-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methylpyridine;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;4-tert-butyl-2-[[1-(2,2-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methylpyridine;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;4-tert-butyl-2-[[1-(2,2-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methylpyridine;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one is CC(C)(C)c1cc(NC2COC2)nc(C(F)(F)F)n1.CC(C)(C)c1cn2nc(Cl)ccc2n1.CCC(=O)N1CCC(Nc2cc(C(C)(C)C)ncn2)CC1.CCCC(=O)N1CCC(Nc2cc(C(C)(C)C)ncn2)CC1.Cc1cnc(CC2CCN(C)C2)cc1C(C)(C)C.Cc1cnc(CC2CCN(CC(C)(F)F)C2)cc1C(C)(C)C.Cc1cnc(CC2CCNC2)cc1C(C)(C)C.Cc1cnc(CC2CN(C)C2)cc1C(C)(C)C.Cc1nc(NC2COC2)cc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;4-tert-butyl-2-[[1-(2,2-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methylpyridine;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one?
The InChIKey is OFZHPBRXRNODPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2N2.C17H28N4O.C16H26N4O.C16H26N2.2C15H24N2.C12H16F3N3O.C12H19N3O.C10H12ClN3/c1-13-10-21-15(9-16(13)17(2,3)4)8-14-6-7-22(11-14)12-18(5,19)20;1-5-6-16(22)21-9-7-13(8-10-21)20-15-11-14(17(2,3)4)18-12-19-15;1-5-15(21)20-8-6-12(7-9-20)19-14-10-13(16(2,3)4)17-11-18-14;1-12-10-17-14(9-15(12)16(2,3)4)8-13-6-7-18(5)11-13;1-11-8-16-13(6-12-9-17(5)10-12)7-14(11)15(2,3)4;1-11-9-17-13(7-12-5-6-16-10-12)8-14(11)15(2,3)4;1-11(2,3)8-4-9(16-7-5-19-6-7)18-10(17-8)12(13,14)15;1-8-13-10(12(2,3)4)5-11(14-8)15-9-6-16-7-9;1-10(2,3)7-6-14-9(12-7)5-4-8(11)13-14/h9-10,14H,6-8,11-12H2,1-5H3;11-13H,5-10H2,1-4H3,(H,18,19,20);10-12H,5-9H2,1-4H3,(H,17,18,19);9-10,13H,6-8,11H2,1-5H3;7-8,12H,6,9-10H2,1-5H3;8-9,12,16H,5-7,10H2,1-4H3;4,7H,5-6H2,1-3H3,(H,16,17,18);5,9H,6-7H2,1-4H3,(H,13,14,15);4-6H,1-3H3.
What are the key properties of 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;4-tert-butyl-2-[[1-(2,2-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methylpyridine;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one?
2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;4-tert-butyl-2-[[1-(2,2-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methylpyridine;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one has a molecular weight of 2322.68 g/mol, XLogP of 25.76, 21 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;4-tert-butyl-2-[[1-(2,2-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methylpyridine;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 159982810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).