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

C195H256Cl2N64O20 — CID 157112856

IUPAC3-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
SMILESCC(C)(C)n1cnc2cnccc2c1=O.CC(C)(C)n1cnc2nc(Cl)ccc2c1=O.CC(C)(C)n1cnc2nccc(Cl)c2c1=O.CC(C)(C)n1cnc2ncccc2c1=O.CC(C)(C)n1ncc2ncccc2c1=O.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1ccnc2ncn(C(C)(C)C)c(=O)c12.Cc1cncc2ncn(C(C)(C)C)c(=O)c12.Cc1cnn2nc[nH]c(=O)c12.Cc1ncn2ncn(C(C)(C)C)c(=O)c12.Cc1nn(C)c2ncn(C(C)(C)C)c(=O)c12.Cc1noc2ncn(C(C)(C)C)c(=O)c12.Cn1cnc2c(C#N)nn(C(C)(C)C)c2c1=O.Cn1cnc2nc[nH]c(=O)c21.Cn1nnc2ncn(C(C)(C)C)c(=O)c21.O=c1[nH]ccn2c(=O)cccc12.[2H]c1nc2nc[nH]c(=O)c2n1C.[2H]c1nc2ncn(C)c2c(=O)[nH]1.[C-]#[N+]c1cc(C)c2c(=O)n(C(C)(C)C)cnc2n1
InChIInChI=1S/C13H14N4O.2C12H15N3O.2C11H12ClN3O.C11H13N5O.C11H16N4O.3C11H13N3O.C10H14N4O.C10H13N3O2.C9H13N5O.C8H6N2O2.4C6H6N4O.5C4H10/c1-8-6-9(14-5)16-11-10(8)12(18)17(7-15-11)13(2,3)4;1-8-5-13-6-9-10(8)11(16)15(7-14-9)12(2,3)4;1-8-5-6-13-10-9(8)11(16)15(7-14-10)12(2,3)4;1-11(2,3)15-6-14-9-8(10(15)16)7(12)4-5-13-9;1-11(2,3)15-6-13-9-7(10(15)16)4-5-8(12)14-9;1-11(2,3)16-9-8(7(5-12)14-16)13-6-15(4)10(9)17;1-7-8-9(14(5)13-7)12-6-15(10(8)16)11(2,3)4;1-11(2,3)14-7-13-9-6-12-5-4-8(9)10(14)15;1-11(2,3)14-7-13-9-8(10(14)15)5-4-6-12-9;1-11(2,3)14-10(15)8-5-4-6-12-9(8)7-13-14;1-7-8-9(15)13(10(2,3)4)6-12-14(8)5-11-7;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;11-7-3-1-2-6-8(12)9-4-5-10(6)7;3*1-10-3-9-5-4(10)6(11)8-2-7-5;1-4-2-8-10-5(4)6(11)7-3-9-10;5*1-4(2)3/h6-7H,1-4H3;2*5-7H,1-4H3;2*4-6H,1-3H3;6H,1-4H3;6H,1-5H3;3*4-7H,1-3H3;5-6H,1-4H3;2*5H,1-4H3;1-5H,(H,9,12);3*2-3H,1H3,(H,7,8,11);2-3H,1H3,(H,7,9,11);5*4H,1-3H3/i;;;;;;;;;;;;;;3D;2D;;;;;;;
InChIKeyAHBAXVDQGARWKB-RFJXCUOYSA-N
MW3889.54 g/mol
LogP26.78
Rot. Bonds

About 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

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 (PubChem CID 157112856) has the molecular formula C195H256Cl2N64O20 and a molecular weight of 3889.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID157112856
Molecular FormulaC195H256Cl2N64O20
Molecular Weight3889.54 g/mol
Exact Mass3886.05
IUPAC Name3-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
SMILESCC(C)(C)n1cnc2cnccc2c1=O.CC(C)(C)n1cnc2nc(Cl)ccc2c1=O.CC(C)(C)n1cnc2nccc(Cl)c2c1=O.CC(C)(C)n1cnc2ncccc2c1=O.CC(C)(C)n1ncc2ncccc2c1=O.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1ccnc2ncn(C(C)(C)C)c(=O)c12.Cc1cncc2ncn(C(C)(C)C)c(=O)c12.Cc1cnn2nc[nH]c(=O)c12.Cc1ncn2ncn(C(C)(C)C)c(=O)c12.Cc1nn(C)c2ncn(C(C)(C)C)c(=O)c12.Cc1noc2ncn(C(C)(C)C)c(=O)c12.Cn1cnc2c(C#N)nn(C(C)(C)C)c2c1=O.Cn1cnc2nc[nH]c(=O)c21.Cn1nnc2ncn(C(C)(C)C)c(=O)c21.O=c1[nH]ccn2c(=O)cccc12.[2H]c1nc2nc[nH]c(=O)c2n1C.[2H]c1nc2ncn(C)c2c(=O)[nH]1.[C-]#[N+]c1cc(C)c2c(=O)n(C(C)(C)C)cnc2n1
InChIInChI=1S/C13H14N4O.2C12H15N3O.2C11H12ClN3O.C11H13N5O.C11H16N4O.3C11H13N3O.C10H14N4O.C10H13N3O2.C9H13N5O.C8H6N2O2.4C6H6N4O.5C4H10/c1-8-6-9(14-5)16-11-10(8)12(18)17(7-15-11)13(2,3)4;1-8-5-13-6-9-10(8)11(16)15(7-14-9)12(2,3)4;1-8-5-6-13-10-9(8)11(16)15(7-14-10)12(2,3)4;1-11(2,3)15-6-14-9-8(10(15)16)7(12)4-5-13-9;1-11(2,3)15-6-13-9-7(10(15)16)4-5-8(12)14-9;1-11(2,3)16-9-8(7(5-12)14-16)13-6-15(4)10(9)17;1-7-8-9(14(5)13-7)12-6-15(10(8)16)11(2,3)4;1-11(2,3)14-7-13-9-6-12-5-4-8(9)10(14)15;1-11(2,3)14-7-13-9-8(10(14)15)5-4-6-12-9;1-11(2,3)14-10(15)8-5-4-6-12-9(8)7-13-14;1-7-8-9(15)13(10(2,3)4)6-12-14(8)5-11-7;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;11-7-3-1-2-6-8(12)9-4-5-10(6)7;3*1-10-3-9-5-4(10)6(11)8-2-7-5;1-4-2-8-10-5(4)6(11)7-3-9-10;5*1-4(2)3/h6-7H,1-4H3;2*5-7H,1-4H3;2*4-6H,1-3H3;6H,1-4H3;6H,1-5H3;3*4-7H,1-3H3;5-6H,1-4H3;2*5H,1-4H3;1-5H,(H,9,12);3*2-3H,1H3,(H,7,8,11);2-3H,1H3,(H,7,9,11);5*4H,1-3H3/i;;;;;;;;;;;;;;3D;2D;;;;;;;
InChIKeyAHBAXVDQGARWKB-RFJXCUOYSA-N
XLogP26.78
TPSA1002.62 Ų
H-Bond Donors5
H-Bond Acceptors78
Rotatable Bonds
Heavy Atoms281
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003889.54
LogP ≤ 526.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1078

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

CID 157343737
CID 157343737
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
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
7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;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-butylpyrido[2,3-d]pyridazin-5-one;6-tert-butylpyrimido[4,5-c]pyridazin-5-one
CID 157815866
7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile;2-methylpropane
CID 157826418
7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one
CID 158018253
3-Tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-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-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one
CID 159187244
7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile;2-methylpropane
CID 159294346
CID 159870117
CID 159870117
CID 160360298
CID 160360298
3-Tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-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-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one
CID 160605216
CID 160662092
CID 160662092

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)n1cnc2cnccc2c1=O.CC(C)(C)n1cnc2nc(Cl)ccc2c1=O.CC(C)(C)n1cnc2nccc(Cl)c2c1=O.CC(C)(C)n1cnc2ncccc2c1=O.CC(C)(C)n1ncc2ncccc2c1=O.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1ccnc2ncn(C(C)(C)C)c(=O)c12.Cc1cncc2ncn(C(C)(C)C)c(=O)c12.Cc1cnn2nc[nH]c(=O)c12.Cc1ncn2ncn(C(C)(C)C)c(=O)c12.Cc1nn(C)c2ncn(C(C)(C)C)c(=O)c12.Cc1noc2ncn(C(C)(C)C)c(=O)c12.Cn1cnc2c(C#N)nn(C(C)(C)C)c2c1=O.Cn1cnc2nc[nH]c(=O)c21.Cn1nnc2ncn(C(C)(C)C)c(=O)c21.O=c1[nH]ccn2c(=O)cccc12.[2H]c1nc2nc[nH]c(=O)c2n1C.[2H]c1nc2ncn(C)c2c(=O)[nH]1.[C-]#[N+]c1cc(C)c2c(=O)n(C(C)(C)C)cnc2n1.
What is the InChIKey of 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?
The InChIKey is AHBAXVDQGARWKB-RFJXCUOYSA-N. The full InChI is InChI=1S/C13H14N4O.2C12H15N3O.2C11H12ClN3O.C11H13N5O.C11H16N4O.3C11H13N3O.C10H14N4O.C10H13N3O2.C9H13N5O.C8H6N2O2.4C6H6N4O.5C4H10/c1-8-6-9(14-5)16-11-10(8)12(18)17(7-15-11)13(2,3)4;1-8-5-13-6-9-10(8)11(16)15(7-14-9)12(2,3)4;1-8-5-6-13-10-9(8)11(16)15(7-14-10)12(2,3)4;1-11(2,3)15-6-14-9-8(10(15)16)7(12)4-5-13-9;1-11(2,3)15-6-13-9-7(10(15)16)4-5-8(12)14-9;1-11(2,3)16-9-8(7(5-12)14-16)13-6-15(4)10(9)17;1-7-8-9(14(5)13-7)12-6-15(10(8)16)11(2,3)4;1-11(2,3)14-7-13-9-6-12-5-4-8(9)10(14)15;1-11(2,3)14-7-13-9-8(10(14)15)5-4-6-12-9;1-11(2,3)14-10(15)8-5-4-6-12-9(8)7-13-14;1-7-8-9(15)13(10(2,3)4)6-12-14(8)5-11-7;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;11-7-3-1-2-6-8(12)9-4-5-10(6)7;3*1-10-3-9-5-4(10)6(11)8-2-7-5;1-4-2-8-10-5(4)6(11)7-3-9-10;5*1-4(2)3/h6-7H,1-4H3;2*5-7H,1-4H3;2*4-6H,1-3H3;6H,1-4H3;6H,1-5H3;3*4-7H,1-3H3;5-6H,1-4H3;2*5H,1-4H3;1-5H,(H,9,12);3*2-3H,1H3,(H,7,8,11);2-3H,1H3,(H,7,9,11);5*4H,1-3H3/i;;;;;;;;;;;;;;3D;2D;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 3889.54 g/mol, XLogP of 26.78, 0 rotatable bonds, 5 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157112856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).