2-chloro-9-propan-2-yl-1H-purin-6-one;bis(7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine);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;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(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;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;9-propan-2-yl-3,6-dihydropurin-6-ol;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;1-(1-propan-2-ylpyrazol-4-yl)ethanone;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;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone

C153H201Cl3F2N66O14 — CID 159169405

IUPAC2-chloro-9-propan-2-yl-1H-purin-6-one;bis(7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine);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;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(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;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;9-propan-2-yl-3,6-dihydropurin-6-ol;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;1-(1-propan-2-ylpyrazol-4-yl)ethanone;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;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone
SMILESCC(=O)c1cn(C(C)C)nn1.CC(=O)c1cnn(C(C)C)c1.CC(=O)c1ncn(C(C)C)n1.CC(C)c1nnc2c(=O)[nH]ccn12.CC(C)c1nnc2c(N)ccnn12.CC(C)n1cnc2c(=O)[nH]c(Cl)nc21.CC(C)n1cnc2c1C=NCC2=O.CC(C)n1cnc2c1NC=NC2O.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(N)ccnc21.Cc1cc(=O)c2ncn(C(C)C)c2[nH]1.Cc1nc2c(C(C)C)cnn2c(=O)[nH]1.Cc1nc2c(c(F)cn2C(C)C)c(=O)[nH]1.Cc1nc2c(ccn2C(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
InChIInChI=1S/C10H12FN3O.2C10H13N3O.C9H11FN4O.3C9H12N4O.C9H11N3O.C8H9ClN4O.2C8H9ClN4.2C8H11N5.C8H12N4O.C8H10N4O.C8H12N2O.2C7H11N3O/c1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(8)15;1-6(2)13-5-11-9-8(14)4-7(3)12-10(9)13;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)7-4-10-13-8(7)11-6(3)12-9(13)14;1-6(2)12-5-11-9-7(12)3-10-4-8(9)13;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;3*1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-5(2)6-10-11-7-8(13)9-3-4-12(6)7;1-6(2)10-5-8(4-9-10)7(3)11;1-5(2)10-4-8-7(9-10)6(3)11;1-5(2)10-4-7(6(3)11)8-9-10/h4-5H,1-3H3,(H,12,13,15);4-6H,1-3H3,(H,12,14);4-6H,1-3H3,(H,11,12,14);4H,1-3H3,(H,11,12,15);3*4-5H,1-3H3,(H,11,12,14);3,5-6H,4H2,1-2H3;3-4H,1-2H3,(H,11,12,14);2*3-5H,1-2H3;3-5H,1-2H3,(H2,9,10);3-5H,9H2,1-2H3;3-5,8,13H,1-2H3,(H,9,10);3-5H,1-2H3,(H,9,13);4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyKLMJFVJXPUACEM-UHFFFAOYSA-N
MW3333.09 g/mol
LogP22.61
Rot. Bonds21

About 2-chloro-9-propan-2-yl-1H-purin-6-one;bis(7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine);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;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(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;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;9-propan-2-yl-3,6-dihydropurin-6-ol;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;1-(1-propan-2-ylpyrazol-4-yl)ethanone;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;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone

2-chloro-9-propan-2-yl-1H-purin-6-one;bis(7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine);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;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(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;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;9-propan-2-yl-3,6-dihydropurin-6-ol;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;1-(1-propan-2-ylpyrazol-4-yl)ethanone;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;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone (PubChem CID 159169405) has the molecular formula C153H201Cl3F2N66O14 and a molecular weight of 3333.09 g/mol. Its IUPAC name is 2-chloro-9-propan-2-yl-1H-purin-6-one;bis(7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine);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;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(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;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;9-propan-2-yl-3,6-dihydropurin-6-ol;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;1-(1-propan-2-ylpyrazol-4-yl)ethanone;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;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone.

Molecular Properties

Compound Name2-chloro-9-propan-2-yl-1H-purin-6-one;bis(7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine);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;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(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;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;9-propan-2-yl-3,6-dihydropurin-6-ol;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;1-(1-propan-2-ylpyrazol-4-yl)ethanone;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;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone
PubChem CID159169405
Molecular FormulaC153H201Cl3F2N66O14
Molecular Weight3333.09 g/mol
Exact Mass3329.61
IUPAC Name2-chloro-9-propan-2-yl-1H-purin-6-one;bis(7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine);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;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(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;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;9-propan-2-yl-3,6-dihydropurin-6-ol;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;1-(1-propan-2-ylpyrazol-4-yl)ethanone;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;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone
SMILESCC(=O)c1cn(C(C)C)nn1.CC(=O)c1cnn(C(C)C)c1.CC(=O)c1ncn(C(C)C)n1.CC(C)c1nnc2c(=O)[nH]ccn12.CC(C)c1nnc2c(N)ccnn12.CC(C)n1cnc2c(=O)[nH]c(Cl)nc21.CC(C)n1cnc2c1C=NCC2=O.CC(C)n1cnc2c1NC=NC2O.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(N)ccnc21.Cc1cc(=O)c2ncn(C(C)C)c2[nH]1.Cc1nc2c(C(C)C)cnn2c(=O)[nH]1.Cc1nc2c(c(F)cn2C(C)C)c(=O)[nH]1.Cc1nc2c(ccn2C(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
InChIInChI=1S/C10H12FN3O.2C10H13N3O.C9H11FN4O.3C9H12N4O.C9H11N3O.C8H9ClN4O.2C8H9ClN4.2C8H11N5.C8H12N4O.C8H10N4O.C8H12N2O.2C7H11N3O/c1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(8)15;1-6(2)13-5-11-9-8(14)4-7(3)12-10(9)13;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)7-4-10-13-8(7)11-6(3)12-9(13)14;1-6(2)12-5-11-9-7(12)3-10-4-8(9)13;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;3*1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-5(2)6-10-11-7-8(13)9-3-4-12(6)7;1-6(2)10-5-8(4-9-10)7(3)11;1-5(2)10-4-8-7(9-10)6(3)11;1-5(2)10-4-7(6(3)11)8-9-10/h4-5H,1-3H3,(H,12,13,15);4-6H,1-3H3,(H,12,14);4-6H,1-3H3,(H,11,12,14);4H,1-3H3,(H,11,12,15);3*4-5H,1-3H3,(H,11,12,14);3,5-6H,4H2,1-2H3;3-4H,1-2H3,(H,11,12,14);2*3-5H,1-2H3;3-5H,1-2H3,(H2,9,10);3-5H,9H2,1-2H3;3-5,8,13H,1-2H3,(H,9,10);3-5H,1-2H3,(H,9,13);4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyKLMJFVJXPUACEM-UHFFFAOYSA-N
XLogP22.61
TPSA998.48 Ų
H-Bond Donors13
H-Bond Acceptors71
Rotatable Bonds21
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003333.09
LogP ≤ 522.61
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1071

Analyze 2-chloro-9-propan-2-yl-1H-purin-6-one;bis(7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine);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;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(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;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;9-propan-2-yl-3,6-dihydropurin-6-ol;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;1-(1-propan-2-ylpyrazol-4-yl)ethanone;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;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

(3S,4R)-1-[2-[(2S)-1-(4-chloro-1-propan-2-ylpyrazole-5-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-hydroxypyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[6-methyl-2-[(2S)-1-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[2-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 160334657
7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;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;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
CID 157119704
N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane
CID 157122751
5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;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;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one
CID 157184370
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;3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;2-methyl-7-propan-2-yl-3,5-dihydrocyclopenta[d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-propan-2-yl-3,5-dihydrocyclopenta[b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-b]pyridine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one
CID 157291073
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
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
5-ethyl-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;1-(4-fluorophenyl)-N-[(3R)-4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-5-propan-2-ylpyrimidine-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-propan-2-ylpyrimidine-2-carboxamide;5-methyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-propan-2-yl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 157463810
6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;bis(2-methyl-9-propan-2-ylpurin-6-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;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-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;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;7-propan-2-ylimidazo[4,5-d]triazin-4-amine;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;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
CID 157527302
1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;7-propan-2-ylimidazo[4,5-c]pyridazine;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;7-propan-2-ylpyrrolo[1,2-b]pyridazine;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;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]pyridazine;bis(3-propan-2-yltriazolo[4,5-b]pyridine);3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one
CID 157617458
N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;1-amino-2-methylpropan-2-ol;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;1-[[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]-2-methylpropan-2-ol;2-N-ethyl-4-N-(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyridine-2,4-diamine;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
CID 157697833
3-tert-butyl-3,8a-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;1-tert-butylbenzimidazol-4-amine;9-tert-butyl-8-fluoro-2-methyl-1H-purin-6-one;7-tert-butyl-5-fluoro-2-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-tert-butylimidazo[4,5-c]pyridin-4-amine;9-tert-butyl-2-methylpurin-6-amine;tris(9-tert-butyl-2-methyl-1H-purin-6-one);8-tert-butyl-2-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;7-tert-butyl-2-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-tert-butyl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;methane
CID 157711865

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-propan-2-yl-1H-purin-6-one;bis(7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine);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;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(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;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;9-propan-2-yl-3,6-dihydropurin-6-ol;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;1-(1-propan-2-ylpyrazol-4-yl)ethanone;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;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone?
The IUPAC name of 2-chloro-9-propan-2-yl-1H-purin-6-one;bis(7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine);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;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(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;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;9-propan-2-yl-3,6-dihydropurin-6-ol;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;1-(1-propan-2-ylpyrazol-4-yl)ethanone;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;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone (CID 159169405) is 2-chloro-9-propan-2-yl-1H-purin-6-one;bis(7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine);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;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(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;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;9-propan-2-yl-3,6-dihydropurin-6-ol;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;1-(1-propan-2-ylpyrazol-4-yl)ethanone;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;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone.
What is the SMILES notation for 2-chloro-9-propan-2-yl-1H-purin-6-one;bis(7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine);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;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(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;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;9-propan-2-yl-3,6-dihydropurin-6-ol;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;1-(1-propan-2-ylpyrazol-4-yl)ethanone;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;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone?
The canonical SMILES for 2-chloro-9-propan-2-yl-1H-purin-6-one;bis(7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine);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;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(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;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;9-propan-2-yl-3,6-dihydropurin-6-ol;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;1-(1-propan-2-ylpyrazol-4-yl)ethanone;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;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone is CC(=O)c1cn(C(C)C)nn1.CC(=O)c1cnn(C(C)C)c1.CC(=O)c1ncn(C(C)C)n1.CC(C)c1nnc2c(=O)[nH]ccn12.CC(C)c1nnc2c(N)ccnn12.CC(C)n1cnc2c(=O)[nH]c(Cl)nc21.CC(C)n1cnc2c1C=NCC2=O.CC(C)n1cnc2c1NC=NC2O.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(N)ccnc21.Cc1cc(=O)c2ncn(C(C)C)c2[nH]1.Cc1nc2c(C(C)C)cnn2c(=O)[nH]1.Cc1nc2c(c(F)cn2C(C)C)c(=O)[nH]1.Cc1nc2c(ccn2C(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.
What is the InChIKey of 2-chloro-9-propan-2-yl-1H-purin-6-one;bis(7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine);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;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(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;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;9-propan-2-yl-3,6-dihydropurin-6-ol;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;1-(1-propan-2-ylpyrazol-4-yl)ethanone;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;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone?
The InChIKey is KLMJFVJXPUACEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O.2C10H13N3O.C9H11FN4O.3C9H12N4O.C9H11N3O.C8H9ClN4O.2C8H9ClN4.2C8H11N5.C8H12N4O.C8H10N4O.C8H12N2O.2C7H11N3O/c1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(8)15;1-6(2)13-5-11-9-8(14)4-7(3)12-10(9)13;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)7-4-10-13-8(7)11-6(3)12-9(13)14;1-6(2)12-5-11-9-7(12)3-10-4-8(9)13;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;3*1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-5(2)6-10-11-7-8(13)9-3-4-12(6)7;1-6(2)10-5-8(4-9-10)7(3)11;1-5(2)10-4-8-7(9-10)6(3)11;1-5(2)10-4-7(6(3)11)8-9-10/h4-5H,1-3H3,(H,12,13,15);4-6H,1-3H3,(H,12,14);4-6H,1-3H3,(H,11,12,14);4H,1-3H3,(H,11,12,15);3*4-5H,1-3H3,(H,11,12,14);3,5-6H,4H2,1-2H3;3-4H,1-2H3,(H,11,12,14);2*3-5H,1-2H3;3-5H,1-2H3,(H2,9,10);3-5H,9H2,1-2H3;3-5,8,13H,1-2H3,(H,9,10);3-5H,1-2H3,(H,9,13);4-6H,1-3H3;2*4-5H,1-3H3.
What are the key properties of 2-chloro-9-propan-2-yl-1H-purin-6-one;bis(7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine);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;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(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;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;9-propan-2-yl-3,6-dihydropurin-6-ol;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;1-(1-propan-2-ylpyrazol-4-yl)ethanone;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;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone?
2-chloro-9-propan-2-yl-1H-purin-6-one;bis(7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine);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;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(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;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;9-propan-2-yl-3,6-dihydropurin-6-ol;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;1-(1-propan-2-ylpyrazol-4-yl)ethanone;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;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone has a molecular weight of 3333.09 g/mol, XLogP of 22.61, 21 rotatable bonds, 13 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-propan-2-yl-1H-purin-6-one;bis(7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine);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;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;bis(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;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;9-propan-2-yl-3,6-dihydropurin-6-ol;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;1-(1-propan-2-ylpyrazol-4-yl)ethanone;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;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone is sourced from PubChem (CID 159169405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).