2-amino-9-propan-2-yl-1H-purin-6-one;3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

C98H125ClF3N41O7 — CID 158443713

IUPAC2-amino-9-propan-2-yl-1H-purin-6-one;3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESC.CC(C)c1cnn2c(=O)[nH]cnc12.CC(C)c1cnn2c(N)ccnc12.CC(C)n1cc(Cl)c2c1N=CCC2=O.CC(C)n1cc(F)c2c(=O)[nH]cnc21.CC(C)n1cc(F)c2c(=O)n(C)cnc21.CC(C)n1cc(F)c2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(=O)[nH]ccc21.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(N)nccc21.CC(C)n1cnc2c(N)ncnc21
InChIInChI=1S/C10H11ClN2O.C10H12FN3O.C9H11FN4.C9H10FN3O.2C9H12N4.C9H11N3O.C8H11N5O.C8H11N5.2C8H10N4O.CH4/c1-6(2)13-5-7(11)9-8(14)3-4-12-10(9)13;1-6(2)14-4-7(11)8-9(14)12-5-13(3)10(8)15;1-5(2)14-3-6(10)7-8(11)12-4-13-9(7)14;1-5(2)13-3-6(10)7-8(13)11-4-12-9(7)14;1-6(2)7-5-12-13-8(10)3-4-11-9(7)13;1-6(2)13-5-12-8-7(13)3-4-11-9(8)10;1-6(2)12-5-11-8-7(12)3-4-10-9(8)13;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-5(2)6-3-11-12-7(6)9-4-10-8(12)13;/h4-6H,3H2,1-2H3;4-6H,1-3H3;3-5H,1-2H3,(H2,11,12,13);3-5H,1-2H3,(H,11,12,14);3-6H,10H2,1-2H3;3-6H,1-2H3,(H2,10,11);3-6H,1-2H3,(H,10,13);3-4H,1-2H3,(H3,9,11,12,14);3-5H,1-2H3,(H2,9,10,11);2*3-5H,1-2H3,(H,9,10,13);1H4
InChIKeyHDCZZDFTJQKZBV-UHFFFAOYSA-N
MW2081.80 g/mol
LogP15.13
Rot. Bonds11

About 2-amino-9-propan-2-yl-1H-purin-6-one;3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

2-amino-9-propan-2-yl-1H-purin-6-one;3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (PubChem CID 158443713) has the molecular formula C98H125ClF3N41O7 and a molecular weight of 2081.80 g/mol. Its IUPAC name is 2-amino-9-propan-2-yl-1H-purin-6-one;3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-amino-9-propan-2-yl-1H-purin-6-one;3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
PubChem CID158443713
Molecular FormulaC98H125ClF3N41O7
Molecular Weight2081.80 g/mol
Exact Mass2080.03
IUPAC Name2-amino-9-propan-2-yl-1H-purin-6-one;3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESC.CC(C)c1cnn2c(=O)[nH]cnc12.CC(C)c1cnn2c(N)ccnc12.CC(C)n1cc(Cl)c2c1N=CCC2=O.CC(C)n1cc(F)c2c(=O)[nH]cnc21.CC(C)n1cc(F)c2c(=O)n(C)cnc21.CC(C)n1cc(F)c2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(=O)[nH]ccc21.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(N)nccc21.CC(C)n1cnc2c(N)ncnc21
InChIInChI=1S/C10H11ClN2O.C10H12FN3O.C9H11FN4.C9H10FN3O.2C9H12N4.C9H11N3O.C8H11N5O.C8H11N5.2C8H10N4O.CH4/c1-6(2)13-5-7(11)9-8(14)3-4-12-10(9)13;1-6(2)14-4-7(11)8-9(14)12-5-13(3)10(8)15;1-5(2)14-3-6(10)7-8(11)12-4-13-9(7)14;1-5(2)13-3-6(10)7-8(13)11-4-12-9(7)14;1-6(2)7-5-12-13-8(10)3-4-11-9(7)13;1-6(2)13-5-12-8-7(13)3-4-11-9(8)10;1-6(2)12-5-11-8-7(12)3-4-10-9(8)13;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-5(2)6-3-11-12-7(6)9-4-10-8(12)13;/h4-6H,3H2,1-2H3;4-6H,1-3H3;3-5H,1-2H3,(H2,11,12,13);3-5H,1-2H3,(H,11,12,14);3-6H,10H2,1-2H3;3-6H,1-2H3,(H2,10,11);3-6H,1-2H3,(H,10,13);3-4H,1-2H3,(H3,9,11,12,14);3-5H,1-2H3,(H2,9,10,11);2*3-5H,1-2H3,(H,9,10,13);1H4
InChIKeyHDCZZDFTJQKZBV-UHFFFAOYSA-N
XLogP15.13
TPSA631.04 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds11
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002081.80
LogP ≤ 515.13
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

Analyze 2-amino-9-propan-2-yl-1H-purin-6-one;3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one with MolForge

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Related Compounds

7-chloro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 91618204
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
(1R,3S,5R)-2-(2-(3-acetyl-7-methyl-5-(2-methylpyr-azolo[1,5-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-c]pyr-idin-1-yl)acetyl)-N-(3-chloro-6-(trifluoromethyl)-pyridin-2-yl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 156837350
(3S,4R)-1-[2-[(2S)-1-(3,6-dichloropyridine-2-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(4,5-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 157212630
2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(8,8-dimethyl-6,7-dihydro-5H-1,7-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-([1,2,4]triazolo[5,1-f][1,6]naphthyridin-2-yl)ethyl]-6,7-dihydro-5H-1,7-naphthyridin-8-one
CID 157254683
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
2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(8,8-dimethyl-6,7-dihydro-5H-1,7-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-([1,2,4]triazolo[5,1-f][1,6]naphthyridin-2-yl)ethyl]-6,7-dihydro-5H-1,7-naphthyridin-8-one
CID 157972751
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
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-propan-2-yl-1H-purin-6-one;3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 2-amino-9-propan-2-yl-1H-purin-6-one;3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (CID 158443713) is 2-amino-9-propan-2-yl-1H-purin-6-one;3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-amino-9-propan-2-yl-1H-purin-6-one;3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-amino-9-propan-2-yl-1H-purin-6-one;3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is C.CC(C)c1cnn2c(=O)[nH]cnc12.CC(C)c1cnn2c(N)ccnc12.CC(C)n1cc(Cl)c2c1N=CCC2=O.CC(C)n1cc(F)c2c(=O)[nH]cnc21.CC(C)n1cc(F)c2c(=O)n(C)cnc21.CC(C)n1cc(F)c2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(=O)[nH]ccc21.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(N)nccc21.CC(C)n1cnc2c(N)ncnc21.
What is the InChIKey of 2-amino-9-propan-2-yl-1H-purin-6-one;3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is HDCZZDFTJQKZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O.C10H12FN3O.C9H11FN4.C9H10FN3O.2C9H12N4.C9H11N3O.C8H11N5O.C8H11N5.2C8H10N4O.CH4/c1-6(2)13-5-7(11)9-8(14)3-4-12-10(9)13;1-6(2)14-4-7(11)8-9(14)12-5-13(3)10(8)15;1-5(2)14-3-6(10)7-8(11)12-4-13-9(7)14;1-5(2)13-3-6(10)7-8(13)11-4-12-9(7)14;1-6(2)7-5-12-13-8(10)3-4-11-9(7)13;1-6(2)13-5-12-8-7(13)3-4-11-9(8)10;1-6(2)12-5-11-8-7(12)3-4-10-9(8)13;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-5(2)6-3-11-12-7(6)9-4-10-8(12)13;/h4-6H,3H2,1-2H3;4-6H,1-3H3;3-5H,1-2H3,(H2,11,12,13);3-5H,1-2H3,(H,11,12,14);3-6H,10H2,1-2H3;3-6H,1-2H3,(H2,10,11);3-6H,1-2H3,(H,10,13);3-4H,1-2H3,(H3,9,11,12,14);3-5H,1-2H3,(H2,9,10,11);2*3-5H,1-2H3,(H,9,10,13);1H4.
What are the key properties of 2-amino-9-propan-2-yl-1H-purin-6-one;3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
2-amino-9-propan-2-yl-1H-purin-6-one;3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 2081.80 g/mol, XLogP of 15.13, 11 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-propan-2-yl-1H-purin-6-one;3-chloro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;5-fluoro-3-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-one;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 158443713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).