5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one

C123H158ClFN52O9S — CID 157372982

IUPAC5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one
SMILESC=C1NC(=O)c2ncn(C(C)C)c2N1.CC(C)C1=NCC2=C1NC=NC2N.CC(C)c1cnc2n1N=CCC2=O.CC(C)c1cnn2c1N=CCC2=O.CC(C)n1c(F)nc2c(N)ccnc21.CC(C)n1cnc2c(=O)cc(N)[nH]c21.CC(C)n1cnc2c(=S)nc(N)[nH]c21.CC(C)n1cnc2c(Cl)ncnc21.CC(C)n1cnc2c1C=CCC2=O.CC(C)n1cnc2c1C=NCC2=O.CC(C)n1cnc2c1N=NCC2=O.CC(C)n1ncc2c1N=CCC2=O.CC(C)n1nnc2c1N=CCC2=O.Cc1nc(N)c2ncn(C(C)C)c2n1
InChIInChI=1S/C10H12N2O.C9H11FN4.C9H13N5.2C9H12N4O.C9H14N4.4C9H11N3O.C8H9ClN4.C8H11N5S.2C8H10N4O/c1-7(2)12-6-11-10-8(12)4-3-5-9(10)13;1-5(2)14-8-7(13-9(14)10)6(11)3-4-12-8;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)13-4-11-8-6(14)3-7(10)12-9(8)13;1-5(2)7-8-6(3-11-7)9(10)13-4-12-8;1-6(2)12-5-11-9-7(12)3-10-4-8(9)13;1-6(2)12-9-7(5-11-12)8(13)3-4-10-9;1-6(2)7-5-10-9-8(13)3-4-11-12(7)9;1-6(2)7-5-11-12-8(13)3-4-10-9(7)12;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)12-4-9-7-6(13)3-10-11-8(7)12;1-5(2)12-8-7(10-11-12)6(13)3-4-9-8/h3-4,6-7H,5H2,1-2H3;3-5H,1-2H3,(H2,11,12);4-5H,1-3H3,(H2,10,12,13);4-5,11H,3H2,1-2H3,(H,12,14);3-5H,1-2H3,(H3,10,12,14);4-5,9H,3,10H2,1-2H3,(H,12,13);3,5-6H,4H2,1-2H3;3*4-6H,3H2,1-2H3;3-5H,1-2H3;3-4H,1-2H3,(H3,9,11,12,14);2*4-5H,3H2,1-2H3
InChIKeyBJZHESJHEOBEEA-UHFFFAOYSA-N
MW2595.49 g/mol
LogP19.96
Rot. Bonds14

About 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one

5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one (PubChem CID 157372982) has the molecular formula C123H158ClFN52O9S and a molecular weight of 2595.49 g/mol. Its IUPAC name is 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one.

Molecular Properties

Compound Name5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one
PubChem CID157372982
Molecular FormulaC123H158ClFN52O9S
Molecular Weight2595.49 g/mol
Exact Mass2593.29
IUPAC Name5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one
SMILESC=C1NC(=O)c2ncn(C(C)C)c2N1.CC(C)C1=NCC2=C1NC=NC2N.CC(C)c1cnc2n1N=CCC2=O.CC(C)c1cnn2c1N=CCC2=O.CC(C)n1c(F)nc2c(N)ccnc21.CC(C)n1cnc2c(=O)cc(N)[nH]c21.CC(C)n1cnc2c(=S)nc(N)[nH]c21.CC(C)n1cnc2c(Cl)ncnc21.CC(C)n1cnc2c1C=CCC2=O.CC(C)n1cnc2c1C=NCC2=O.CC(C)n1cnc2c1N=NCC2=O.CC(C)n1ncc2c1N=CCC2=O.CC(C)n1nnc2c1N=CCC2=O.Cc1nc(N)c2ncn(C(C)C)c2n1
InChIInChI=1S/C10H12N2O.C9H11FN4.C9H13N5.2C9H12N4O.C9H14N4.4C9H11N3O.C8H9ClN4.C8H11N5S.2C8H10N4O/c1-7(2)12-6-11-10-8(12)4-3-5-9(10)13;1-5(2)14-8-7(13-9(14)10)6(11)3-4-12-8;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)13-4-11-8-6(14)3-7(10)12-9(8)13;1-5(2)7-8-6(3-11-7)9(10)13-4-12-8;1-6(2)12-5-11-9-7(12)3-10-4-8(9)13;1-6(2)12-9-7(5-11-12)8(13)3-4-10-9;1-6(2)7-5-10-9-8(13)3-4-11-12(7)9;1-6(2)7-5-11-12-8(13)3-4-10-9(7)12;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)12-4-9-7-6(13)3-10-11-8(7)12;1-5(2)12-8-7(10-11-12)6(13)3-4-9-8/h3-4,6-7H,5H2,1-2H3;3-5H,1-2H3,(H2,11,12);4-5H,1-3H3,(H2,10,12,13);4-5,11H,3H2,1-2H3,(H,12,14);3-5H,1-2H3,(H3,10,12,14);4-5,9H,3,10H2,1-2H3,(H,12,13);3,5-6H,4H2,1-2H3;3*4-6H,3H2,1-2H3;3-5H,1-2H3;3-4H,1-2H3,(H3,9,11,12,14);2*4-5H,3H2,1-2H3
InChIKeyBJZHESJHEOBEEA-UHFFFAOYSA-N
XLogP19.96
TPSA784.53 Ų
H-Bond Donors10
H-Bond Acceptors59
Rotatable Bonds14
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002595.49
LogP ≤ 519.96
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one with MolForge

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Related Compounds

N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-1-[[2-[[6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]methyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 145564679
2-amino-6-chloro-N-(4-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(4-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157592250
4-(5-chloro-2-pyridinyl)-N-ethyl-5-oxo-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;5-oxo-N,4-diphenyl-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;5-oxo-4-phenyl-N-(2,2,2-trifluoroethyl)-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;4-phenyl-10-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one
CID 157921080
5-Chloro-3-(2-methylpropyl)-1-(1-methylpyrazol-3-yl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one;4-[2-chloro-3-(2-methylpropyl)phenyl]-1-methylpyrazole;5-fluoro-3-(2-methylpropyl)-1-(1-methylpyrazol-3-yl)pyridin-2-one;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine;1-(1-methylpiperidin-4-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(1-methylpyrazol-3-yl)pyridin-2-one;1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one
CID 158397739
2-(6-chloro-3-pyridinyl)-N-[(1S)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrazol-1-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;bis(4-methyl-N-[2-(4-methylcyclohexyl)propan-2-yl]-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide)
CID 158859836
6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-6-[(1S,2S)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-(2-imidazo[1,2-a]pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 160083809
5-Chloro-3-(2-methylpropyl)-1-(1-methylpyrazol-3-yl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one;4-[2-chloro-3-(2-methylpropyl)phenyl]-1-methylpyrazole;5-fluoro-3-(2-methylpropyl)-1-(1-methylpyrazol-3-yl)pyridin-2-one;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine;3-(2-methylpropyl)-1-(1-methylpyrazol-3-yl)pyridin-2-one;1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one
CID 167544826
4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide;1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide
CID 89464826
6-[3-(dimethylamino)pyrrolidin-1-yl]-1-[[6-[[6-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-4-methyl-2-pyridinyl]methyl]-N-(4,6-dimethyl-2-pyridinyl)imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123532736
6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[[6-[[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-4-methyl-2-pyridinyl]methyl]-N-(4,6-dimethyl-2-pyridinyl)imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 145564783
methane;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;N-methyl-N-(methylsulfonylmethyl)-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1(13),4,6,8,11-pentaen-10-one;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 157068039

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one?
The IUPAC name of 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one (CID 157372982) is 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one.
What is the SMILES notation for 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one?
The canonical SMILES for 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one is C=C1NC(=O)c2ncn(C(C)C)c2N1.CC(C)C1=NCC2=C1NC=NC2N.CC(C)c1cnc2n1N=CCC2=O.CC(C)c1cnn2c1N=CCC2=O.CC(C)n1c(F)nc2c(N)ccnc21.CC(C)n1cnc2c(=O)cc(N)[nH]c21.CC(C)n1cnc2c(=S)nc(N)[nH]c21.CC(C)n1cnc2c(Cl)ncnc21.CC(C)n1cnc2c1C=CCC2=O.CC(C)n1cnc2c1C=NCC2=O.CC(C)n1cnc2c1N=NCC2=O.CC(C)n1ncc2c1N=CCC2=O.CC(C)n1nnc2c1N=CCC2=O.Cc1nc(N)c2ncn(C(C)C)c2n1.
What is the InChIKey of 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one?
The InChIKey is BJZHESJHEOBEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.C9H11FN4.C9H13N5.2C9H12N4O.C9H14N4.4C9H11N3O.C8H9ClN4.C8H11N5S.2C8H10N4O/c1-7(2)12-6-11-10-8(12)4-3-5-9(10)13;1-5(2)14-8-7(13-9(14)10)6(11)3-4-12-8;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)13-4-11-8-6(14)3-7(10)12-9(8)13;1-5(2)7-8-6(3-11-7)9(10)13-4-12-8;1-6(2)12-5-11-9-7(12)3-10-4-8(9)13;1-6(2)12-9-7(5-11-12)8(13)3-4-10-9;1-6(2)7-5-10-9-8(13)3-4-11-12(7)9;1-6(2)7-5-11-12-8(13)3-4-10-9(7)12;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)12-4-9-7-6(13)3-10-11-8(7)12;1-5(2)12-8-7(10-11-12)6(13)3-4-9-8/h3-4,6-7H,5H2,1-2H3;3-5H,1-2H3,(H2,11,12);4-5H,1-3H3,(H2,10,12,13);4-5,11H,3H2,1-2H3,(H,12,14);3-5H,1-2H3,(H3,10,12,14);4-5,9H,3,10H2,1-2H3,(H,12,13);3,5-6H,4H2,1-2H3;3*4-6H,3H2,1-2H3;3-5H,1-2H3;3-4H,1-2H3,(H3,9,11,12,14);2*4-5H,3H2,1-2H3.
What are the key properties of 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one?
5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one has a molecular weight of 2595.49 g/mol, XLogP of 19.96, 14 rotatable bonds, 10 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;6-chloro-9-propan-2-ylpurine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;2-methyl-9-propan-2-ylpurin-6-amine;1-propan-2-yl-5H-benzimidazol-4-one;7-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one is sourced from PubChem (CID 157372982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).