ethane;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[4,5-c]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;4-propan-2-ylimidazo[1,2-a][1,3,5]triazine;4-propan-2-ylimidazo[1,5-a][1,3,5]triazine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[2,1-f][1,2,4]triazine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;4-propan-2-ylpyrazolo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one

C186H295N57O2 — CID 159101694

IUPACethane;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[4,5-c]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;4-propan-2-ylimidazo[1,2-a][1,3,5]triazine;4-propan-2-ylimidazo[1,5-a][1,3,5]triazine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[2,1-f][1,2,4]triazine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;4-propan-2-ylpyrazolo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2cncn2cn1.CC(C)c1ccn2cncc2n1.CC(C)c1ccnc2c1cnn2C.CC(C)c1cnc2ccccn12.CC(C)c1nccc2c1cnn2C.CC(C)c1ncnc2c1CCNC2.CC(C)c1ncnc2c1CCOC2.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2cccn12.CC(C)c1ncnc2ccnn12.CC(C)c1ncnc2cncn12.CC(C)c1ncnc2nccn12.CC(C)c1ncnn2cccc12.CC(C)c1ncnn2ccnc12.CC(C)c1ncnn2cncc12.CC(C)c1ncnn2nccc12.Cc1nc(C(C)C)c2c(n1)n(C)c(=O)n2C
InChIInChI=1S/C11H16N4O.2C10H13N3.C10H15N3.C10H14N2O.C10H12N2.C9H12N4.4C9H11N3.6C8H10N4.16C2H6/c1-6(2)8-9-10(13-7(3)12-8)15(5)11(16)14(9)4;1-7(2)10-8-6-12-13(3)9(8)4-5-11-10;1-7(2)8-4-5-11-10-9(8)6-12-13(10)3;1-7(2)10-8-3-4-11-5-9(8)12-6-13-10;1-7(2)10-8-3-4-13-5-9(8)11-6-12-10;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8;1-7(2)9-3-8-4-10-5-12(8)6-11-9;1-7(2)8-3-4-12-6-10-5-9(12)11-8;1-7(2)9-11-6-10-8-4-3-5-12(8)9;1-7(2)9-8-4-3-5-12(8)11-6-10-9;1-6(2)8-11-4-10-7-3-9-5-12(7)8;1-6(2)8-7-3-9-5-12(7)11-4-10-8;1-6(2)7-10-5-11-8-9-3-4-12(7)8;1-6(2)7-8-9-3-4-12(8)11-5-10-7;1-6(2)8-10-5-9-7-3-4-11-12(7)8;1-6(2)8-7-3-4-10-12(7)11-5-9-8;16*1-2/h6H,1-5H3;2*4-7H,1-3H3;6-7,11H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3;4*3-7H,1-2H3;6*3-6H,1-2H3;16*1-2H3
InChIKeyKDJDQXFBAREHTA-UHFFFAOYSA-N
MW3361.80 g/mol
LogP43.46
Rot. Bonds17

About ethane;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[4,5-c]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;4-propan-2-ylimidazo[1,2-a][1,3,5]triazine;4-propan-2-ylimidazo[1,5-a][1,3,5]triazine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[2,1-f][1,2,4]triazine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;4-propan-2-ylpyrazolo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one

ethane;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[4,5-c]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;4-propan-2-ylimidazo[1,2-a][1,3,5]triazine;4-propan-2-ylimidazo[1,5-a][1,3,5]triazine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[2,1-f][1,2,4]triazine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;4-propan-2-ylpyrazolo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one (PubChem CID 159101694) has the molecular formula C186H295N57O2 and a molecular weight of 3361.80 g/mol. Its IUPAC name is ethane;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[4,5-c]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;4-propan-2-ylimidazo[1,2-a][1,3,5]triazine;4-propan-2-ylimidazo[1,5-a][1,3,5]triazine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[2,1-f][1,2,4]triazine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;4-propan-2-ylpyrazolo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one.

Molecular Properties

Compound Nameethane;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[4,5-c]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;4-propan-2-ylimidazo[1,2-a][1,3,5]triazine;4-propan-2-ylimidazo[1,5-a][1,3,5]triazine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[2,1-f][1,2,4]triazine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;4-propan-2-ylpyrazolo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one
PubChem CID159101694
Molecular FormulaC186H295N57O2
Molecular Weight3361.80 g/mol
Exact Mass3359.47
IUPAC Nameethane;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[4,5-c]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;4-propan-2-ylimidazo[1,2-a][1,3,5]triazine;4-propan-2-ylimidazo[1,5-a][1,3,5]triazine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[2,1-f][1,2,4]triazine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;4-propan-2-ylpyrazolo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2cncn2cn1.CC(C)c1ccn2cncc2n1.CC(C)c1ccnc2c1cnn2C.CC(C)c1cnc2ccccn12.CC(C)c1nccc2c1cnn2C.CC(C)c1ncnc2c1CCNC2.CC(C)c1ncnc2c1CCOC2.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2cccn12.CC(C)c1ncnc2ccnn12.CC(C)c1ncnc2cncn12.CC(C)c1ncnc2nccn12.CC(C)c1ncnn2cccc12.CC(C)c1ncnn2ccnc12.CC(C)c1ncnn2cncc12.CC(C)c1ncnn2nccc12.Cc1nc(C(C)C)c2c(n1)n(C)c(=O)n2C
InChIInChI=1S/C11H16N4O.2C10H13N3.C10H15N3.C10H14N2O.C10H12N2.C9H12N4.4C9H11N3.6C8H10N4.16C2H6/c1-6(2)8-9-10(13-7(3)12-8)15(5)11(16)14(9)4;1-7(2)10-8-6-12-13(3)9(8)4-5-11-10;1-7(2)8-4-5-11-10-9(8)6-12-13(10)3;1-7(2)10-8-3-4-11-5-9(8)12-6-13-10;1-7(2)10-8-3-4-13-5-9(8)11-6-12-10;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8;1-7(2)9-3-8-4-10-5-12(8)6-11-9;1-7(2)8-3-4-12-6-10-5-9(12)11-8;1-7(2)9-11-6-10-8-4-3-5-12(8)9;1-7(2)9-8-4-3-5-12(8)11-6-10-9;1-6(2)8-11-4-10-7-3-9-5-12(7)8;1-6(2)8-7-3-9-5-12(7)11-4-10-8;1-6(2)7-10-5-11-8-9-3-4-12(7)8;1-6(2)7-8-9-3-4-12(8)11-5-10-7;1-6(2)8-10-5-9-7-3-4-11-12(7)8;1-6(2)8-7-3-4-10-12(7)11-5-9-8;16*1-2/h6H,1-5H3;2*4-7H,1-3H3;6-7,11H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3;4*3-7H,1-2H3;6*3-6H,1-2H3;16*1-2H3
InChIKeyKDJDQXFBAREHTA-UHFFFAOYSA-N
XLogP43.46
TPSA627.09 Ų
H-Bond Donors1
H-Bond Acceptors59
Rotatable Bonds17
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003361.80
LogP ≤ 543.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1059

Analyze ethane;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[4,5-c]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;4-propan-2-ylimidazo[1,2-a][1,3,5]triazine;4-propan-2-ylimidazo[1,5-a][1,3,5]triazine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[2,1-f][1,2,4]triazine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;4-propan-2-ylpyrazolo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one with MolForge

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Related Compounds

US10842803, Structure TABLE 1.32
CID 53362079
US10842803, Structure TABLE 1.53
CID 53390564
(2S,6S)-2-methyl-6-(1H-pyrazol-5-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;3-[2-[(3S,5S)-3-methyl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R,5R)-3-methyl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,6S)-2-methyl-6-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6R)-2-methyl-6-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 157746318
azane;5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine
CID 158080952
5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine
CID 158883797
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-(2-phenylethyl)piperazin-2-one;1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-phenylmethoxypyridin-2-one;1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
CID 159563824
7-[1-(2,2-difluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-(1,3-dimethylpyrazol-4-yl)-N-(5-ethylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-(1,3-dimethylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[3-[ethyl(methyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(pyrimidin-5-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine
CID 159943380
3-(Indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine
CID 161865811
1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 167700081
cis-(1R,2R)-2-fluoro-N-[4-[6-[(1S)-1-[[8-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-[6-[(1S)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-2-yl]oxy]butyl]-4-methyl-3-pyridinyl]-1-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170968069
2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-methylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate
CID 91301558
(8aR)-7-[5-[(3R)-3-phenyl-5-oxa-1,8,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 122621396

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[4,5-c]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;4-propan-2-ylimidazo[1,2-a][1,3,5]triazine;4-propan-2-ylimidazo[1,5-a][1,3,5]triazine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[2,1-f][1,2,4]triazine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;4-propan-2-ylpyrazolo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one?
The IUPAC name of ethane;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[4,5-c]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;4-propan-2-ylimidazo[1,2-a][1,3,5]triazine;4-propan-2-ylimidazo[1,5-a][1,3,5]triazine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[2,1-f][1,2,4]triazine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;4-propan-2-ylpyrazolo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one (CID 159101694) is ethane;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[4,5-c]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;4-propan-2-ylimidazo[1,2-a][1,3,5]triazine;4-propan-2-ylimidazo[1,5-a][1,3,5]triazine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[2,1-f][1,2,4]triazine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;4-propan-2-ylpyrazolo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one.
What is the SMILES notation for ethane;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[4,5-c]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;4-propan-2-ylimidazo[1,2-a][1,3,5]triazine;4-propan-2-ylimidazo[1,5-a][1,3,5]triazine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[2,1-f][1,2,4]triazine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;4-propan-2-ylpyrazolo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one?
The canonical SMILES for ethane;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[4,5-c]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;4-propan-2-ylimidazo[1,2-a][1,3,5]triazine;4-propan-2-ylimidazo[1,5-a][1,3,5]triazine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[2,1-f][1,2,4]triazine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;4-propan-2-ylpyrazolo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2cncn2cn1.CC(C)c1ccn2cncc2n1.CC(C)c1ccnc2c1cnn2C.CC(C)c1cnc2ccccn12.CC(C)c1nccc2c1cnn2C.CC(C)c1ncnc2c1CCNC2.CC(C)c1ncnc2c1CCOC2.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2cccn12.CC(C)c1ncnc2ccnn12.CC(C)c1ncnc2cncn12.CC(C)c1ncnc2nccn12.CC(C)c1ncnn2cccc12.CC(C)c1ncnn2ccnc12.CC(C)c1ncnn2cncc12.CC(C)c1ncnn2nccc12.Cc1nc(C(C)C)c2c(n1)n(C)c(=O)n2C.
What is the InChIKey of ethane;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[4,5-c]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;4-propan-2-ylimidazo[1,2-a][1,3,5]triazine;4-propan-2-ylimidazo[1,5-a][1,3,5]triazine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[2,1-f][1,2,4]triazine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;4-propan-2-ylpyrazolo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one?
The InChIKey is KDJDQXFBAREHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O.2C10H13N3.C10H15N3.C10H14N2O.C10H12N2.C9H12N4.4C9H11N3.6C8H10N4.16C2H6/c1-6(2)8-9-10(13-7(3)12-8)15(5)11(16)14(9)4;1-7(2)10-8-6-12-13(3)9(8)4-5-11-10;1-7(2)8-4-5-11-10-9(8)6-12-13(10)3;1-7(2)10-8-3-4-11-5-9(8)12-6-13-10;1-7(2)10-8-3-4-13-5-9(8)11-6-12-10;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8;1-7(2)9-3-8-4-10-5-12(8)6-11-9;1-7(2)8-3-4-12-6-10-5-9(12)11-8;1-7(2)9-11-6-10-8-4-3-5-12(8)9;1-7(2)9-8-4-3-5-12(8)11-6-10-9;1-6(2)8-11-4-10-7-3-9-5-12(7)8;1-6(2)8-7-3-9-5-12(7)11-4-10-8;1-6(2)7-10-5-11-8-9-3-4-12(7)8;1-6(2)7-8-9-3-4-12(8)11-5-10-7;1-6(2)8-10-5-9-7-3-4-11-12(7)8;1-6(2)8-7-3-4-10-12(7)11-5-9-8;16*1-2/h6H,1-5H3;2*4-7H,1-3H3;6-7,11H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3;4*3-7H,1-2H3;6*3-6H,1-2H3;16*1-2H3.
What are the key properties of ethane;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[4,5-c]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;4-propan-2-ylimidazo[1,2-a][1,3,5]triazine;4-propan-2-ylimidazo[1,5-a][1,3,5]triazine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[2,1-f][1,2,4]triazine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;4-propan-2-ylpyrazolo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one?
ethane;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[4,5-c]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;4-propan-2-ylimidazo[1,2-a][1,3,5]triazine;4-propan-2-ylimidazo[1,5-a][1,3,5]triazine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[2,1-f][1,2,4]triazine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;4-propan-2-ylpyrazolo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one has a molecular weight of 3361.80 g/mol, XLogP of 43.46, 17 rotatable bonds, 1 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-4-propan-2-ylpyrazolo[4,5-c]pyridine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;4-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,5-a]pyrimidine;4-propan-2-ylimidazo[1,2-a][1,3,5]triazine;4-propan-2-ylimidazo[1,5-a][1,3,5]triazine;7-propan-2-ylimidazo[1,5-c]pyrimidine;4-propan-2-ylimidazo[2,1-f][1,2,4]triazine;4-propan-2-ylimidazo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;4-propan-2-ylpyrazolo[5,1-f][1,2,4]triazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,7,9-trimethyl-6-propan-2-ylpurin-8-one is sourced from PubChem (CID 159101694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).