5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one

C96H121Cl3F2N54O5 — CID 157326185

IUPAC5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESCC(C)c1cnc2c(=O)[nH]cnn12.CC(C)c1cnn2c(=O)[nH]cnc12.CC(C)n1c(F)nc2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]ncc21.CC(C)n1cnc2c(=O)cc(N)[nH]c21.CC(C)n1cnc2c(Cl)ncnc21.CC(C)n1cnc2c(N)nc(Cl)nc21.CC(C)n1cnc2c(N)nc(F)nc21.CC(C)n1cnc2c(N)nncc21.CC(C)n1nnc2c(=O)[nH]cnc21.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(N)ccnc21
InChIInChI=1S/C9H12N4O.C8H10ClN5.2C8H9ClN4.2C8H10FN5.2C8H11N5.3C8H10N4O.C7H9N5O/c1-5(2)13-4-11-8-6(14)3-7(10)12-9(8)13;1-4(2)14-3-11-5-6(10)12-8(9)13-7(5)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7;1-4(2)14-3-11-5-6(10)12-8(9)13-7(5)14;1-5(2)13-4-10-7-6(13)3-11-12-8(7)9;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)12-4-9-7-6(12)3-10-11-8(7)13;1-5(2)6-3-9-7-8(13)10-4-11-12(6)7;1-5(2)6-3-11-12-7(6)9-4-10-8(12)13;1-4(2)12-6-5(10-11-12)7(13)9-3-8-6/h3-5H,1-2H3,(H3,10,12,14);3-4H,1-2H3,(H2,10,12,13);2*3-5H,1-2H3;3-4H,1-2H3,(H2,10,11,12);3-4H,1-2H3,(H2,10,12,13);3-5H,1-2H3,(H2,9,12);3-5H,1-2H3,(H2,9,10);3-5H,1-2H3,(H,11,13);3-5H,1-2H3,(H,10,11,13);3-5H,1-2H3,(H,9,10,13);3-4H,1-2H3,(H,8,9,13)
InChIKeyBETBOBMAFMTMEP-UHFFFAOYSA-N
MW2255.75 g/mol
LogP12.77
Rot. Bonds12

About 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one

5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one (PubChem CID 157326185) has the molecular formula C96H121Cl3F2N54O5 and a molecular weight of 2255.75 g/mol. Its IUPAC name is 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one
PubChem CID157326185
Molecular FormulaC96H121Cl3F2N54O5
Molecular Weight2255.75 g/mol
Exact Mass2252.99
IUPAC Name5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESCC(C)c1cnc2c(=O)[nH]cnn12.CC(C)c1cnn2c(=O)[nH]cnc12.CC(C)n1c(F)nc2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]ncc21.CC(C)n1cnc2c(=O)cc(N)[nH]c21.CC(C)n1cnc2c(Cl)ncnc21.CC(C)n1cnc2c(N)nc(Cl)nc21.CC(C)n1cnc2c(N)nc(F)nc21.CC(C)n1cnc2c(N)nncc21.CC(C)n1nnc2c(=O)[nH]cnc21.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(N)ccnc21
InChIInChI=1S/C9H12N4O.C8H10ClN5.2C8H9ClN4.2C8H10FN5.2C8H11N5.3C8H10N4O.C7H9N5O/c1-5(2)13-4-11-8-6(14)3-7(10)12-9(8)13;1-4(2)14-3-11-5-6(10)12-8(9)13-7(5)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7;1-4(2)14-3-11-5-6(10)12-8(9)13-7(5)14;1-5(2)13-4-10-7-6(13)3-11-12-8(7)9;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)12-4-9-7-6(12)3-10-11-8(7)13;1-5(2)6-3-9-7-8(13)10-4-11-12(6)7;1-5(2)6-3-11-12-7(6)9-4-10-8(12)13;1-4(2)12-6-5(10-11-12)7(13)9-3-8-6/h3-5H,1-2H3,(H3,10,12,14);3-4H,1-2H3,(H2,10,12,13);2*3-5H,1-2H3;3-4H,1-2H3,(H2,10,11,12);3-4H,1-2H3,(H2,10,12,13);3-5H,1-2H3,(H2,9,12);3-5H,1-2H3,(H2,9,10);3-5H,1-2H3,(H,11,13);3-5H,1-2H3,(H,10,11,13);3-5H,1-2H3,(H,9,10,13);3-4H,1-2H3,(H,8,9,13)
InChIKeyBETBOBMAFMTMEP-UHFFFAOYSA-N
XLogP12.77
TPSA778.13 Ų
H-Bond Donors11
H-Bond Acceptors54
Rotatable Bonds12
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002255.75
LogP ≤ 512.77
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1054

Analyze 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-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-[8-tert-butyl-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;5-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1H-pyridazin-6-one;4-[6-(4-chloro-3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-(1,1-difluoroethyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 157874439
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
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 158244579
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
6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[6-(6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide;1-[4-[6-(6-pyrazol-1-ylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 158734406
4-[8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[8-tert-butyl-6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 158841991
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
N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 159361405
[4-[8-tert-butyl-6-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[4-[8-tert-butyl-6-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[8-tert-butyl-6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 159853886

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one (CID 157326185) is 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one is CC(C)c1cnc2c(=O)[nH]cnn12.CC(C)c1cnn2c(=O)[nH]cnc12.CC(C)n1c(F)nc2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]ncc21.CC(C)n1cnc2c(=O)cc(N)[nH]c21.CC(C)n1cnc2c(Cl)ncnc21.CC(C)n1cnc2c(N)nc(Cl)nc21.CC(C)n1cnc2c(N)nc(F)nc21.CC(C)n1cnc2c(N)nncc21.CC(C)n1nnc2c(=O)[nH]cnc21.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(N)ccnc21.
What is the InChIKey of 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is BETBOBMAFMTMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O.C8H10ClN5.2C8H9ClN4.2C8H10FN5.2C8H11N5.3C8H10N4O.C7H9N5O/c1-5(2)13-4-11-8-6(14)3-7(10)12-9(8)13;1-4(2)14-3-11-5-6(10)12-8(9)13-7(5)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7;1-4(2)14-3-11-5-6(10)12-8(9)13-7(5)14;1-5(2)13-4-10-7-6(13)3-11-12-8(7)9;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)12-4-9-7-6(12)3-10-11-8(7)13;1-5(2)6-3-9-7-8(13)10-4-11-12(6)7;1-5(2)6-3-11-12-7(6)9-4-10-8(12)13;1-4(2)12-6-5(10-11-12)7(13)9-3-8-6/h3-5H,1-2H3,(H3,10,12,14);3-4H,1-2H3,(H2,10,12,13);2*3-5H,1-2H3;3-4H,1-2H3,(H2,10,11,12);3-4H,1-2H3,(H2,10,12,13);3-5H,1-2H3,(H2,9,12);3-5H,1-2H3,(H2,9,10);3-5H,1-2H3,(H,11,13);3-5H,1-2H3,(H,10,11,13);3-5H,1-2H3,(H,9,10,13);3-4H,1-2H3,(H,8,9,13).
What are the key properties of 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one?
5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 2255.75 g/mol, XLogP of 12.77, 12 rotatable bonds, 11 hydrogen bond donors, and 54 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-chloro-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;1-propan-2-ylimidazo[4,5-d]pyridazin-4-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 157326185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).