3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1-methyl-7-oxo-6H-pyrazolo[4,5-b]pyridine-3-carbonitrile;6-tert-butyl-1-methyl-7-oxopyrrolo[2,3-d]pyridazine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butyl-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione

C153H195ClN48O18S — CID 157494815

IUPAC3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1-methyl-7-oxo-6H-pyrazolo[4,5-b]pyridine-3-carbonitrile;6-tert-butyl-1-methyl-7-oxopyrrolo[2,3-d]pyridazine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butyl-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione
SMILESCC(C)(C)n1ccn2c(=O)cccc2c1=O.CC(C)(C)n1cnc2nccc(Cl)c2c1=O.Cc1ccc(=O)n2ccn(C(C)(C)C)c(=O)c12.Cc1csc2ncc(C(C)(C)C)c(=O)n12.Cc1ncnc2ncn(C(C)(C)C)c(=O)c12.Cc1noc2ncn(C(C)(C)C)c(=O)c12.Cn1c(=O)ccc2ncn(C(C)(C)C)c(=O)c21.Cn1cc(C#N)c2cnn(C(C)(C)C)c(=O)c21.Cn1cnc2cnn(C(C)(C)C)c(=O)c21.Cn1cnc2ncn(C(C)(C)C)c(=O)c21.Cn1nc(C#N)c2c1C(=O)C(C(C)(C)C)C=N2.Cn1nnc2ncn(C(C)(C)C)c(=O)c21.[2H]c1nc2ncn(C(C)(C)C)c(=O)c2n1C.[2H]c1nc2ncn(C)c2c(=O)n1C(C)(C)C
InChIInChI=1S/C13H16N2O2.2C12H14N4O.C12H15N3O2.C12H14N2O2.C11H12ClN3O.C11H14N4O.C11H14N2OS.4C10H14N4O.C10H13N3O2.C9H13N5O/c1-9-5-6-10(16)14-7-8-15(13(2,3)4)12(17)11(9)14;1-12(2,3)16-11(17)10-9(6-14-16)8(5-13)7-15(10)4;1-12(2,3)7-6-14-9-8(5-13)15-16(4)10(9)11(7)17;1-12(2,3)15-7-13-8-5-6-9(16)14(4)10(8)11(15)17;1-12(2,3)14-8-7-13-9(11(14)16)5-4-6-10(13)15;1-11(2,3)15-6-14-9-8(10(15)16)7(12)4-5-13-9;1-7-8-9(13-5-12-7)14-6-15(10(8)16)11(2,3)4;1-7-6-15-10-12-5-8(11(2,3)4)9(14)13(7)10;3*1-10(2,3)14-6-12-8-7(9(14)15)13(4)5-11-8;1-10(2,3)14-9(15)8-7(5-12-14)11-6-13(8)4;1-6-7-8(15-12-6)11-5-13(9(7)14)10(2,3)4;1-9(2,3)14-5-10-7-6(8(14)15)13(4)12-11-7/h5-8H,1-4H3;2*6-7H,1-4H3;5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;5-6H,1-4H3;5*5-6H,1-4H3;2*5H,1-4H3/i;;;;;;;;6D;5D;;;;
InChIKeyBXRWYRYHNZNQOQ-PXOQJBQLSA-N
MW3064.09 g/mol
LogP17.89
Rot. Bonds

About 3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1-methyl-7-oxo-6H-pyrazolo[4,5-b]pyridine-3-carbonitrile;6-tert-butyl-1-methyl-7-oxopyrrolo[2,3-d]pyridazine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butyl-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione

3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1-methyl-7-oxo-6H-pyrazolo[4,5-b]pyridine-3-carbonitrile;6-tert-butyl-1-methyl-7-oxopyrrolo[2,3-d]pyridazine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butyl-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 157494815) has the molecular formula C153H195ClN48O18S and a molecular weight of 3064.09 g/mol. Its IUPAC name is 3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1-methyl-7-oxo-6H-pyrazolo[4,5-b]pyridine-3-carbonitrile;6-tert-butyl-1-methyl-7-oxopyrrolo[2,3-d]pyridazine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butyl-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1-methyl-7-oxo-6H-pyrazolo[4,5-b]pyridine-3-carbonitrile;6-tert-butyl-1-methyl-7-oxopyrrolo[2,3-d]pyridazine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butyl-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione
PubChem CID157494815
Molecular FormulaC153H195ClN48O18S
Molecular Weight3064.09 g/mol
Exact Mass3061.54
IUPAC Name3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1-methyl-7-oxo-6H-pyrazolo[4,5-b]pyridine-3-carbonitrile;6-tert-butyl-1-methyl-7-oxopyrrolo[2,3-d]pyridazine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butyl-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione
SMILESCC(C)(C)n1ccn2c(=O)cccc2c1=O.CC(C)(C)n1cnc2nccc(Cl)c2c1=O.Cc1ccc(=O)n2ccn(C(C)(C)C)c(=O)c12.Cc1csc2ncc(C(C)(C)C)c(=O)n12.Cc1ncnc2ncn(C(C)(C)C)c(=O)c12.Cc1noc2ncn(C(C)(C)C)c(=O)c12.Cn1c(=O)ccc2ncn(C(C)(C)C)c(=O)c21.Cn1cc(C#N)c2cnn(C(C)(C)C)c(=O)c21.Cn1cnc2cnn(C(C)(C)C)c(=O)c21.Cn1cnc2ncn(C(C)(C)C)c(=O)c21.Cn1nc(C#N)c2c1C(=O)C(C(C)(C)C)C=N2.Cn1nnc2ncn(C(C)(C)C)c(=O)c21.[2H]c1nc2ncn(C(C)(C)C)c(=O)c2n1C.[2H]c1nc2ncn(C)c2c(=O)n1C(C)(C)C
InChIInChI=1S/C13H16N2O2.2C12H14N4O.C12H15N3O2.C12H14N2O2.C11H12ClN3O.C11H14N4O.C11H14N2OS.4C10H14N4O.C10H13N3O2.C9H13N5O/c1-9-5-6-10(16)14-7-8-15(13(2,3)4)12(17)11(9)14;1-12(2,3)16-11(17)10-9(6-14-16)8(5-13)7-15(10)4;1-12(2,3)7-6-14-9-8(5-13)15-16(4)10(9)11(7)17;1-12(2,3)15-7-13-8-5-6-9(16)14(4)10(8)11(15)17;1-12(2,3)14-8-7-13-9(11(14)16)5-4-6-10(13)15;1-11(2,3)15-6-14-9-8(10(15)16)7(12)4-5-13-9;1-7-8-9(13-5-12-7)14-6-15(10(8)16)11(2,3)4;1-7-6-15-10-12-5-8(11(2,3)4)9(14)13(7)10;3*1-10(2,3)14-6-12-8-7(9(14)15)13(4)5-11-8;1-10(2,3)14-9(15)8-7(5-12-14)11-6-13(8)4;1-6-7-8(15-12-6)11-5-13(9(7)14)10(2,3)4;1-9(2,3)14-5-10-7-6(8(14)15)13(4)12-11-7/h5-8H,1-4H3;2*6-7H,1-4H3;5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;5-6H,1-4H3;5*5-6H,1-4H3;2*5H,1-4H3/i;;;;;;;;6D;5D;;;;
InChIKeyBXRWYRYHNZNQOQ-PXOQJBQLSA-N
XLogP17.89
TPSA758.68 Ų
H-Bond Donors
H-Bond Acceptors67
Rotatable Bonds
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003064.09
LogP ≤ 517.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1067

Analyze 3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1-methyl-7-oxo-6H-pyrazolo[4,5-b]pyridine-3-carbonitrile;6-tert-butyl-1-methyl-7-oxopyrrolo[2,3-d]pyridazine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butyl-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-7-chloropyrido[2,3-d]pyrimidin-4-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;2-deuterio-7-methyl-1H-purin-6-one;8-deuterio-7-methyl-1H-purin-6-one;pentakis(2-methylpropane);7-methyl-1H-purin-6-one;5-methyl-3H-pyrazolo[5,1-f][1,2,4]triazin-4-one;2H-pyrido[1,2-a]pyrazine-1,6-dione
CID 157112856
CID 157343737
CID 157343737
3-Tert-butyl-7-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one
CID 157670661
CID 159870117
CID 159870117
CID 160360298
CID 160360298
CID 160662092
CID 160662092
1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;5-chloro-3H-pyrido[2,3-d]pyrimidin-4-one;7-chloro-3H-pyrido[2,3-d]pyrimidin-4-one;2-deuterio-7-methyl-1H-purin-6-one;8-deuterio-7-methyl-1H-purin-6-one;1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;7-isocyano-3H-pyrido[2,3-d]pyrimidin-4-one;5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;3-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one;heptadecakis(2-methylpropane);7-methyl-1H-purin-6-one;5-methyl-3H-pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one;5-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;1-methyl-6H-triazolo[4,5-d]pyrimidin-7-one;2H-pyrido[1,2-a]pyrazine-1,6-dione;6H-pyrido[2,3-d]pyridazin-5-one;3H-pyrido[2,3-d]pyrimidin-4-one;3H-pyrido[3,4-d]pyrimidin-4-one
CID 161006787
3-Tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-7-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one
CID 161433836
1-Tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;3-tert-butyl-7-isocyano-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;1-tert-butyl-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;bis(3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one);3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5-methylpyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one
CID 161480582

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1-methyl-7-oxo-6H-pyrazolo[4,5-b]pyridine-3-carbonitrile;6-tert-butyl-1-methyl-7-oxopyrrolo[2,3-d]pyridazine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butyl-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1-methyl-7-oxo-6H-pyrazolo[4,5-b]pyridine-3-carbonitrile;6-tert-butyl-1-methyl-7-oxopyrrolo[2,3-d]pyridazine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butyl-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione (CID 157494815) is 3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1-methyl-7-oxo-6H-pyrazolo[4,5-b]pyridine-3-carbonitrile;6-tert-butyl-1-methyl-7-oxopyrrolo[2,3-d]pyridazine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butyl-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1-methyl-7-oxo-6H-pyrazolo[4,5-b]pyridine-3-carbonitrile;6-tert-butyl-1-methyl-7-oxopyrrolo[2,3-d]pyridazine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butyl-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1-methyl-7-oxo-6H-pyrazolo[4,5-b]pyridine-3-carbonitrile;6-tert-butyl-1-methyl-7-oxopyrrolo[2,3-d]pyridazine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butyl-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione is CC(C)(C)n1ccn2c(=O)cccc2c1=O.CC(C)(C)n1cnc2nccc(Cl)c2c1=O.Cc1ccc(=O)n2ccn(C(C)(C)C)c(=O)c12.Cc1csc2ncc(C(C)(C)C)c(=O)n12.Cc1ncnc2ncn(C(C)(C)C)c(=O)c12.Cc1noc2ncn(C(C)(C)C)c(=O)c12.Cn1c(=O)ccc2ncn(C(C)(C)C)c(=O)c21.Cn1cc(C#N)c2cnn(C(C)(C)C)c(=O)c21.Cn1cnc2cnn(C(C)(C)C)c(=O)c21.Cn1cnc2ncn(C(C)(C)C)c(=O)c21.Cn1nc(C#N)c2c1C(=O)C(C(C)(C)C)C=N2.Cn1nnc2ncn(C(C)(C)C)c(=O)c21.[2H]c1nc2ncn(C(C)(C)C)c(=O)c2n1C.[2H]c1nc2ncn(C)c2c(=O)n1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1-methyl-7-oxo-6H-pyrazolo[4,5-b]pyridine-3-carbonitrile;6-tert-butyl-1-methyl-7-oxopyrrolo[2,3-d]pyridazine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butyl-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is BXRWYRYHNZNQOQ-PXOQJBQLSA-N. The full InChI is InChI=1S/C13H16N2O2.2C12H14N4O.C12H15N3O2.C12H14N2O2.C11H12ClN3O.C11H14N4O.C11H14N2OS.4C10H14N4O.C10H13N3O2.C9H13N5O/c1-9-5-6-10(16)14-7-8-15(13(2,3)4)12(17)11(9)14;1-12(2,3)16-11(17)10-9(6-14-16)8(5-13)7-15(10)4;1-12(2,3)7-6-14-9-8(5-13)15-16(4)10(9)11(7)17;1-12(2,3)15-7-13-8-5-6-9(16)14(4)10(8)11(15)17;1-12(2,3)14-8-7-13-9(11(14)16)5-4-6-10(13)15;1-11(2,3)15-6-14-9-8(10(15)16)7(12)4-5-13-9;1-7-8-9(13-5-12-7)14-6-15(10(8)16)11(2,3)4;1-7-6-15-10-12-5-8(11(2,3)4)9(14)13(7)10;3*1-10(2,3)14-6-12-8-7(9(14)15)13(4)5-11-8;1-10(2,3)14-9(15)8-7(5-12-14)11-6-13(8)4;1-6-7-8(15-12-6)11-5-13(9(7)14)10(2,3)4;1-9(2,3)14-5-10-7-6(8(14)15)13(4)12-11-7/h5-8H,1-4H3;2*6-7H,1-4H3;5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;5-6H,1-4H3;5*5-6H,1-4H3;2*5H,1-4H3/i;;;;;;;;6D;5D;;;;.
What are the key properties of 3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1-methyl-7-oxo-6H-pyrazolo[4,5-b]pyridine-3-carbonitrile;6-tert-butyl-1-methyl-7-oxopyrrolo[2,3-d]pyridazine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butyl-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione?
3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1-methyl-7-oxo-6H-pyrazolo[4,5-b]pyridine-3-carbonitrile;6-tert-butyl-1-methyl-7-oxopyrrolo[2,3-d]pyridazine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butyl-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 3064.09 g/mol, XLogP of 17.89, 0 rotatable bonds, 0 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2-deuterio-7-methylpurin-6-one;1-tert-butyl-8-deuterio-7-methylpurin-6-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;5-tert-butyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1-methyl-7-oxo-6H-pyrazolo[4,5-b]pyridine-3-carbonitrile;6-tert-butyl-1-methyl-7-oxopyrrolo[2,3-d]pyridazine-3-carbonitrile;1-tert-butyl-7-methylpurin-6-one;2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butyl-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-tert-butylpyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 157494815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).