N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;4-ethoxy-6-methyl-1-propan-2-ylimidazo[4,5-c]pyridine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;methane;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone

C231H320F2N86O9S — CID 158056046

IUPACN,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;4-ethoxy-6-methyl-1-propan-2-ylimidazo[4,5-c]pyridine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;methane;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone
SMILESC.CC(=O)c1cn(C(C)C)nn1.CC(=O)c1cnn(C(C)C)c1.CC(=O)c1ncn(C(C)C)n1.CC(C)C1=CCc2c(N)ccnc21.CC(C)c1nnc2c(N)ccnn12.CC(C)c1nnc2n1C=CCC2=O.CC(C)n1cnc2c(=O)[nH]c(F)nc21.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)nc(N)nc21.CC(C)n1cnc2c(NCCO)ccnc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cnc(N(C)C)nc21.CCCNc1ccnc2c1ncn2C(C)C.CCCNc1ncc2ncn(C(C)C)c2n1.CCOc1nc(C)cc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1ccnc2c1ncn2C(C)C.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1
InChIInChI=1S/C12H18N4.C12H17N3O.C11H17N5.C11H16N4O.C11H16N4.C11H14N2.C10H15N5.C10H14N4.C10H13N3O.C10H13N3S.3C10H13N3.C10H12N2.C9H11FN4O.2C9H12N4.C9H11N3O.C8H9FN4O.C8H12N6.C8H11N5.C8H12N2O.2C7H11N3O.CH4/c1-4-6-13-10-5-7-14-12-11(10)15-8-16(12)9(2)3;1-5-16-12-11-10(6-9(4)14-12)15(7-13-11)8(2)3;1-4-5-12-11-13-6-9-10(15-11)16(7-14-9)8(2)3;1-8(2)15-7-14-10-9(12-5-6-16)3-4-13-11(10)15;1-8(2)15-7-13-10-9(14(3)4)5-6-12-11(10)15;1-7(2)8-3-4-9-10(12)5-6-13-11(8)9;1-7(2)15-6-12-8-5-11-10(14(3)4)13-9(8)15;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;2*1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;1-7(2)13-6-12-9-8(3)4-5-11-10(9)13;2*1-7(2)13-6-12-10-8(11)4-3-5-9(10)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;2*1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)8-10-11-9-7(13)4-3-5-12(8)9;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-6(2)10-5-8(4-9-10)7(3)11;1-5(2)10-4-8-7(9-10)6(3)11;1-5(2)10-4-7(6(3)11)8-9-10;/h5,7-9H,4,6H2,1-3H3,(H,13,14);6-8H,5H2,1-4H3;6-8H,4-5H2,1-3H3,(H,12,13,15);3-4,7-8,16H,5-6H2,1-2H3,(H,12,13);5-8H,1-4H3;3,5-7H,4H2,1-2H3,(H2,12,13);5-7H,1-4H3;5-7H,4H2,1-3H3;2*4-7H,1-3H3;4-7H,1-3H3;2*3-7H,11H2,1-2H3;3-8H,1-2H3;4H,1-3H3,(H,11,12,15);2*3-6H,1-2H3,(H2,10,11);3,5-6H,4H2,1-2H3;3-4H,1-2H3,(H,11,12,14);3-4H,1-2H3,(H4,9,10,12,13);3-5H,9H2,1-2H3;4-6H,1-3H3;2*4-5H,1-3H3;1H4
InChIKeyFKBIZUZZRILYOD-UHFFFAOYSA-N
MW4515.76 g/mol
LogP43.53
Rot. Bonds43

About N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;4-ethoxy-6-methyl-1-propan-2-ylimidazo[4,5-c]pyridine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;methane;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone

N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;4-ethoxy-6-methyl-1-propan-2-ylimidazo[4,5-c]pyridine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;methane;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone (PubChem CID 158056046) has the molecular formula C231H320F2N86O9S and a molecular weight of 4515.76 g/mol. Its IUPAC name is N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;4-ethoxy-6-methyl-1-propan-2-ylimidazo[4,5-c]pyridine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;methane;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone.

Molecular Properties

Compound NameN,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;4-ethoxy-6-methyl-1-propan-2-ylimidazo[4,5-c]pyridine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;methane;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone
PubChem CID158056046
Molecular FormulaC231H320F2N86O9S
Molecular Weight4515.76 g/mol
Exact Mass4512.69
IUPAC NameN,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;4-ethoxy-6-methyl-1-propan-2-ylimidazo[4,5-c]pyridine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;methane;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone
SMILESC.CC(=O)c1cn(C(C)C)nn1.CC(=O)c1cnn(C(C)C)c1.CC(=O)c1ncn(C(C)C)n1.CC(C)C1=CCc2c(N)ccnc21.CC(C)c1nnc2c(N)ccnn12.CC(C)c1nnc2n1C=CCC2=O.CC(C)n1cnc2c(=O)[nH]c(F)nc21.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)nc(N)nc21.CC(C)n1cnc2c(NCCO)ccnc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cnc(N(C)C)nc21.CCCNc1ccnc2c1ncn2C(C)C.CCCNc1ncc2ncn(C(C)C)c2n1.CCOc1nc(C)cc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1ccnc2c1ncn2C(C)C.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1
InChIInChI=1S/C12H18N4.C12H17N3O.C11H17N5.C11H16N4O.C11H16N4.C11H14N2.C10H15N5.C10H14N4.C10H13N3O.C10H13N3S.3C10H13N3.C10H12N2.C9H11FN4O.2C9H12N4.C9H11N3O.C8H9FN4O.C8H12N6.C8H11N5.C8H12N2O.2C7H11N3O.CH4/c1-4-6-13-10-5-7-14-12-11(10)15-8-16(12)9(2)3;1-5-16-12-11-10(6-9(4)14-12)15(7-13-11)8(2)3;1-4-5-12-11-13-6-9-10(15-11)16(7-14-9)8(2)3;1-8(2)15-7-14-10-9(12-5-6-16)3-4-13-11(10)15;1-8(2)15-7-13-10-9(14(3)4)5-6-12-11(10)15;1-7(2)8-3-4-9-10(12)5-6-13-11(8)9;1-7(2)15-6-12-8-5-11-10(14(3)4)13-9(8)15;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;2*1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;1-7(2)13-6-12-9-8(3)4-5-11-10(9)13;2*1-7(2)13-6-12-10-8(11)4-3-5-9(10)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;2*1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)8-10-11-9-7(13)4-3-5-12(8)9;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-6(2)10-5-8(4-9-10)7(3)11;1-5(2)10-4-8-7(9-10)6(3)11;1-5(2)10-4-7(6(3)11)8-9-10;/h5,7-9H,4,6H2,1-3H3,(H,13,14);6-8H,5H2,1-4H3;6-8H,4-5H2,1-3H3,(H,12,13,15);3-4,7-8,16H,5-6H2,1-2H3,(H,12,13);5-8H,1-4H3;3,5-7H,4H2,1-2H3,(H2,12,13);5-7H,1-4H3;5-7H,4H2,1-3H3;2*4-7H,1-3H3;4-7H,1-3H3;2*3-7H,11H2,1-2H3;3-8H,1-2H3;4H,1-3H3,(H,11,12,15);2*3-6H,1-2H3,(H2,10,11);3,5-6H,4H2,1-2H3;3-4H,1-2H3,(H,11,12,14);3-4H,1-2H3,(H4,9,10,12,13);3-5H,9H2,1-2H3;4-6H,1-3H3;2*4-5H,1-3H3;1H4
InChIKeyFKBIZUZZRILYOD-UHFFFAOYSA-N
XLogP43.53
TPSA1155.01 Ų
H-Bond Donors14
H-Bond Acceptors94
Rotatable Bonds43
Heavy Atoms329
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004515.76
LogP ≤ 543.53
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1094

Analyze N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;4-ethoxy-6-methyl-1-propan-2-ylimidazo[4,5-c]pyridine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;methane;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone with MolForge

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What is the IUPAC name of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;4-ethoxy-6-methyl-1-propan-2-ylimidazo[4,5-c]pyridine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;methane;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone?
The IUPAC name of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;4-ethoxy-6-methyl-1-propan-2-ylimidazo[4,5-c]pyridine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;methane;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone (CID 158056046) is N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;4-ethoxy-6-methyl-1-propan-2-ylimidazo[4,5-c]pyridine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;methane;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone.
What is the SMILES notation for N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;4-ethoxy-6-methyl-1-propan-2-ylimidazo[4,5-c]pyridine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;methane;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone?
The canonical SMILES for N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;4-ethoxy-6-methyl-1-propan-2-ylimidazo[4,5-c]pyridine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;methane;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone is C.CC(=O)c1cn(C(C)C)nn1.CC(=O)c1cnn(C(C)C)c1.CC(=O)c1ncn(C(C)C)n1.CC(C)C1=CCc2c(N)ccnc21.CC(C)c1nnc2c(N)ccnn12.CC(C)c1nnc2n1C=CCC2=O.CC(C)n1cnc2c(=O)[nH]c(F)nc21.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)nc(N)nc21.CC(C)n1cnc2c(NCCO)ccnc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cnc(N(C)C)nc21.CCCNc1ccnc2c1ncn2C(C)C.CCCNc1ncc2ncn(C(C)C)c2n1.CCOc1nc(C)cc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1ccnc2c1ncn2C(C)C.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.
What is the InChIKey of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;4-ethoxy-6-methyl-1-propan-2-ylimidazo[4,5-c]pyridine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;methane;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone?
The InChIKey is FKBIZUZZRILYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4.C12H17N3O.C11H17N5.C11H16N4O.C11H16N4.C11H14N2.C10H15N5.C10H14N4.C10H13N3O.C10H13N3S.3C10H13N3.C10H12N2.C9H11FN4O.2C9H12N4.C9H11N3O.C8H9FN4O.C8H12N6.C8H11N5.C8H12N2O.2C7H11N3O.CH4/c1-4-6-13-10-5-7-14-12-11(10)15-8-16(12)9(2)3;1-5-16-12-11-10(6-9(4)14-12)15(7-13-11)8(2)3;1-4-5-12-11-13-6-9-10(15-11)16(7-14-9)8(2)3;1-8(2)15-7-14-10-9(12-5-6-16)3-4-13-11(10)15;1-8(2)15-7-13-10-9(14(3)4)5-6-12-11(10)15;1-7(2)8-3-4-9-10(12)5-6-13-11(8)9;1-7(2)15-6-12-8-5-11-10(14(3)4)13-9(8)15;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;2*1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;1-7(2)13-6-12-9-8(3)4-5-11-10(9)13;2*1-7(2)13-6-12-10-8(11)4-3-5-9(10)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;2*1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)8-10-11-9-7(13)4-3-5-12(8)9;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-6(2)10-5-8(4-9-10)7(3)11;1-5(2)10-4-8-7(9-10)6(3)11;1-5(2)10-4-7(6(3)11)8-9-10;/h5,7-9H,4,6H2,1-3H3,(H,13,14);6-8H,5H2,1-4H3;6-8H,4-5H2,1-3H3,(H,12,13,15);3-4,7-8,16H,5-6H2,1-2H3,(H,12,13);5-8H,1-4H3;3,5-7H,4H2,1-2H3,(H2,12,13);5-7H,1-4H3;5-7H,4H2,1-3H3;2*4-7H,1-3H3;4-7H,1-3H3;2*3-7H,11H2,1-2H3;3-8H,1-2H3;4H,1-3H3,(H,11,12,15);2*3-6H,1-2H3,(H2,10,11);3,5-6H,4H2,1-2H3;3-4H,1-2H3,(H,11,12,14);3-4H,1-2H3,(H4,9,10,12,13);3-5H,9H2,1-2H3;4-6H,1-3H3;2*4-5H,1-3H3;1H4.
What are the key properties of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;4-ethoxy-6-methyl-1-propan-2-ylimidazo[4,5-c]pyridine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;methane;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone?
N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;4-ethoxy-6-methyl-1-propan-2-ylimidazo[4,5-c]pyridine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;methane;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone has a molecular weight of 4515.76 g/mol, XLogP of 43.53, 43 rotatable bonds, 14 hydrogen bond donors, and 94 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;4-ethoxy-6-methyl-1-propan-2-ylimidazo[4,5-c]pyridine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;methane;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurine-2,6-diamine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone is sourced from PubChem (CID 158056046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).