6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;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

C136H184F2N54O9S — CID 158108596

IUPAC6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;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
SMILESCC(C)c1nnc2c(N)ccnn12.CC(C)c1nnc2n1C=CCC2=O.CC(C)n1cnc2c(NCCO)ccnc21.CCCNc1ccnc2c1ncn2C(C)C.CCOc1nc(C)nc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(c(F)cn2C(C)C)c(=O)[nH]1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C12H18N4.2C11H16N4O.C10H12FN3O.C10H14N4.C10H13N3O.C10H13N3S.C9H11FN4O.C9H13N5.3C9H12N4O.C9H11N3O.C8H11N5/c1-4-6-13-10-5-7-14-12-11(10)15-8-16(12)9(2)3;1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-8(2)15-7-14-10-9(12-5-6-16)3-4-13-11(10)15;1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(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;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;3*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)8-10-11-9-7(13)4-3-5-12(8)9;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8/h5,7-9H,4,6H2,1-3H3,(H,13,14);6-7H,5H2,1-4H3;3-4,7-8,16H,5-6H2,1-2H3,(H,12,13);4-5H,1-3H3,(H,12,13,15);5-7H,4H2,1-3H3;2*4-7H,1-3H3;4H,1-3H3,(H,11,12,15);4-5H,1-3H3,(H2,10,12,13);3*4-5H,1-3H3,(H,11,12,14);3,5-6H,4H2,1-2H3;3-5H,9H2,1-2H3
InChIKeyFQDINHLCOBLFMR-UHFFFAOYSA-N
MW2789.40 g/mol
LogP22.60
Rot. Bonds25

About 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;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

6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;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 (PubChem CID 158108596) has the molecular formula C136H184F2N54O9S and a molecular weight of 2789.40 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;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.

Molecular Properties

Compound Name6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;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
PubChem CID158108596
Molecular FormulaC136H184F2N54O9S
Molecular Weight2789.40 g/mol
Exact Mass2787.53
IUPAC Name6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;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
SMILESCC(C)c1nnc2c(N)ccnn12.CC(C)c1nnc2n1C=CCC2=O.CC(C)n1cnc2c(NCCO)ccnc21.CCCNc1ccnc2c1ncn2C(C)C.CCOc1nc(C)nc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(c(F)cn2C(C)C)c(=O)[nH]1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C12H18N4.2C11H16N4O.C10H12FN3O.C10H14N4.C10H13N3O.C10H13N3S.C9H11FN4O.C9H13N5.3C9H12N4O.C9H11N3O.C8H11N5/c1-4-6-13-10-5-7-14-12-11(10)15-8-16(12)9(2)3;1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-8(2)15-7-14-10-9(12-5-6-16)3-4-13-11(10)15;1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(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;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;3*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)8-10-11-9-7(13)4-3-5-12(8)9;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8/h5,7-9H,4,6H2,1-3H3,(H,13,14);6-7H,5H2,1-4H3;3-4,7-8,16H,5-6H2,1-2H3,(H,12,13);4-5H,1-3H3,(H,12,13,15);5-7H,4H2,1-3H3;2*4-7H,1-3H3;4H,1-3H3,(H,11,12,15);4-5H,1-3H3,(H2,10,12,13);3*4-5H,1-3H3,(H,11,12,14);3,5-6H,4H2,1-2H3;3-5H,9H2,1-2H3
InChIKeyFQDINHLCOBLFMR-UHFFFAOYSA-N
XLogP22.60
TPSA764.25 Ų
H-Bond Donors10
H-Bond Acceptors59
Rotatable Bonds25
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002789.40
LogP ≤ 522.60
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1059

Analyze 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;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 with MolForge

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Launch Full Analysis

Related Compounds

2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 159145624
2-amino-5-[4-(dimethylamino)piperidin-1-yl]-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-[3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methyl-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162133841
N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 167500963
2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 157116318
6-ethoxy-9-propan-2-ylpurin-2-amine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;methane;2-methyl-9-propan-2-yl-1H-purin-6-one;8-propan-2-yl-1,4-dihydropyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine
CID 157242276
6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine
CID 157333142
2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-5-propan-2-yl-1H-pyrimidin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;6-fluoro-3-oxo-4-propan-2-ylpyrazine-2-carboxamide;5-fluoro-1-propan-2-ylpyrimidine-2,4-dione;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;7-propan-2-ylfuro[3,2-d]pyrimidin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;5-propan-2-yl-1H-pyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;7-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-propan-2-ylthieno[3,2-d]pyrimidin-4-amine;7-propan-2-ylthieno[3,4-d]pyrimidin-4-amine
CID 157350415
6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 157410545
N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;4-methyl-1-propan-2-ylbenzimidazole;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;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;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 157513350
6-ethoxy-2-methyl-9-propan-2-ylpurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;bis(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine)
CID 157531298
6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-b]pyridin-4-one;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 157765451
7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;7-propan-2-ylimidazo[4,5-c]pyridazin-4-amine;3-propan-2-ylimidazo[4,5-c]pyridin-7-amine;bis(3-propan-2-yltriazolo[4,5-b]pyridin-7-amine)
CID 157878017

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;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?
The IUPAC name of 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;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 (CID 158108596) is 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;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.
What is the SMILES notation for 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;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?
The canonical SMILES for 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;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 is CC(C)c1nnc2c(N)ccnn12.CC(C)c1nnc2n1C=CCC2=O.CC(C)n1cnc2c(NCCO)ccnc21.CCCNc1ccnc2c1ncn2C(C)C.CCOc1nc(C)nc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(c(F)cn2C(C)C)c(=O)[nH]1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.
What is the InChIKey of 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;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?
The InChIKey is FQDINHLCOBLFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4.2C11H16N4O.C10H12FN3O.C10H14N4.C10H13N3O.C10H13N3S.C9H11FN4O.C9H13N5.3C9H12N4O.C9H11N3O.C8H11N5/c1-4-6-13-10-5-7-14-12-11(10)15-8-16(12)9(2)3;1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-8(2)15-7-14-10-9(12-5-6-16)3-4-13-11(10)15;1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(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;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;3*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)8-10-11-9-7(13)4-3-5-12(8)9;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8/h5,7-9H,4,6H2,1-3H3,(H,13,14);6-7H,5H2,1-4H3;3-4,7-8,16H,5-6H2,1-2H3,(H,12,13);4-5H,1-3H3,(H,12,13,15);5-7H,4H2,1-3H3;2*4-7H,1-3H3;4H,1-3H3,(H,11,12,15);4-5H,1-3H3,(H2,10,12,13);3*4-5H,1-3H3,(H,11,12,14);3,5-6H,4H2,1-2H3;3-5H,9H2,1-2H3.
What are the key properties of 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;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?
6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;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 has a molecular weight of 2789.40 g/mol, XLogP of 22.60, 25 rotatable bonds, 10 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;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 is sourced from PubChem (CID 158108596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).