5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;7-tert-butyl-3,4,5,6-tetrahydro-1H-purin-2-one;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;ethane

C243H438N62O21S2 — CID 162282991

IUPAC5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;7-tert-butyl-3,4,5,6-tetrahydro-1H-purin-2-one;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1C(=O)Cc2[nH]cnc2C1=O.CC(C)(C)N1C=NC2NC(=O)NC2C1=O.CC(C)(C)N1C=NC2NC(=O)NCC21.CC(C)(C)n1cc2ccccn2c1=O.CC(C)(C)n1ccc2n[nH]nc2c1=O.CC(C)(C)n1ccc2nc(=O)ccn2c1=O.CC(C)(C)n1ccn2cnc(=O)cc2c1=O.CC(C)(C)n1cnc(=O)c2cccnc21.CC(C)(C)n1cnc2[nH]ncc2c1=O.CC(C)(C)n1cnc2c(c1=O)CCC(=O)C2.CC(C)(C)n1cnc2c(c1=O)CCNC2.CC(C)(C)n1cnc2cn[nH]c2c1=O.CC(C)(C)n1cnc2nc[nH]c2c1=S.CC(C)(C)n1cnc2nccnc21.CC(C)(C)n1cnc2ncncc21.CC(C)(C)n1cnc2ncoc2c1=O.CC(C)(C)n1cnc2ncsc2c1=O.CC(C)(C)n1nnc2nc[nH]c2c1=O
InChIInChI=1S/C12H16N2O2.2C11H13N3O2.C11H17N3O.C11H13N3O.C11H14N2O.C10H13N3O2.C9H14N4O2.C9H16N4O.3C9H12N4O.C9H12N4S.2C9H12N4.C9H11N3O2.C9H11N3OS.C8H11N5O.34C2H6/c1-12(2,3)14-7-13-10-6-8(15)4-5-9(10)11(14)16;1-11(2,3)14-7-4-8-12-9(15)5-6-13(8)10(14)16;1-11(2,3)14-5-4-13-7-12-9(15)6-8(13)10(14)16;1-11(2,3)14-7-13-9-6-12-5-4-8(9)10(14)15;1-11(2,3)14-7-13-10(15)8-5-4-6-12-9(8)14;1-11(2,3)13-8-9-6-4-5-7-12(9)10(13)14;1-10(2,3)13-7(14)4-6-8(9(13)15)12-5-11-6;1-9(2,3)13-4-10-6-5(7(13)14)11-8(15)12-6;1-9(2,3)13-5-11-7-6(13)4-10-8(14)12-7;1-9(2,3)13-5-10-6-4-11-12-7(6)8(13)14;1-9(2,3)13-5-10-7-6(8(13)14)4-11-12-7;1-9(2,3)13-5-4-6-7(8(13)14)11-12-10-6;1-9(2,3)13-5-12-7-6(8(13)14)10-4-11-7;1-9(2,3)13-6-12-8-7(13)4-10-5-11-8;1-9(2,3)13-6-12-7-8(13)11-5-4-10-7;2*1-9(2,3)12-4-10-7-6(8(12)13)14-5-11-7;1-8(2,3)13-7(14)5-6(11-12-13)10-4-9-5;34*1-2/h7H,4-6H2,1-3H3;2*4-7H,1-3H3;7,12H,4-6H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;5H,4H2,1-3H3,(H,11,12);4-6H,1-3H3,(H2,11,12,15);5-7H,4H2,1-3H3,(H2,10,12,14);2*4-5H,1-3H3,(H,11,12);4-5H,1-3H3,(H,10,11,12);4-5H,1-3H3,(H,10,11);2*4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3,(H,9,10);34*1-2H3
InChIKeyLIHDFOVLXJNSNZ-UHFFFAOYSA-N
MW4628.72 g/mol
LogP52.80
Rot. Bonds

About 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;7-tert-butyl-3,4,5,6-tetrahydro-1H-purin-2-one;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;ethane

5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;7-tert-butyl-3,4,5,6-tetrahydro-1H-purin-2-one;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;ethane (PubChem CID 162282991) has the molecular formula C243H438N62O21S2 and a molecular weight of 4628.72 g/mol. Its IUPAC name is 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;7-tert-butyl-3,4,5,6-tetrahydro-1H-purin-2-one;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;ethane.

Molecular Properties

Compound Name5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;7-tert-butyl-3,4,5,6-tetrahydro-1H-purin-2-one;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;ethane
PubChem CID162282991
Molecular FormulaC243H438N62O21S2
Molecular Weight4628.72 g/mol
Exact Mass4625.46
IUPAC Name5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;7-tert-butyl-3,4,5,6-tetrahydro-1H-purin-2-one;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1C(=O)Cc2[nH]cnc2C1=O.CC(C)(C)N1C=NC2NC(=O)NC2C1=O.CC(C)(C)N1C=NC2NC(=O)NCC21.CC(C)(C)n1cc2ccccn2c1=O.CC(C)(C)n1ccc2n[nH]nc2c1=O.CC(C)(C)n1ccc2nc(=O)ccn2c1=O.CC(C)(C)n1ccn2cnc(=O)cc2c1=O.CC(C)(C)n1cnc(=O)c2cccnc21.CC(C)(C)n1cnc2[nH]ncc2c1=O.CC(C)(C)n1cnc2c(c1=O)CCC(=O)C2.CC(C)(C)n1cnc2c(c1=O)CCNC2.CC(C)(C)n1cnc2cn[nH]c2c1=O.CC(C)(C)n1cnc2nc[nH]c2c1=S.CC(C)(C)n1cnc2nccnc21.CC(C)(C)n1cnc2ncncc21.CC(C)(C)n1cnc2ncoc2c1=O.CC(C)(C)n1cnc2ncsc2c1=O.CC(C)(C)n1nnc2nc[nH]c2c1=O
InChIInChI=1S/C12H16N2O2.2C11H13N3O2.C11H17N3O.C11H13N3O.C11H14N2O.C10H13N3O2.C9H14N4O2.C9H16N4O.3C9H12N4O.C9H12N4S.2C9H12N4.C9H11N3O2.C9H11N3OS.C8H11N5O.34C2H6/c1-12(2,3)14-7-13-10-6-8(15)4-5-9(10)11(14)16;1-11(2,3)14-7-4-8-12-9(15)5-6-13(8)10(14)16;1-11(2,3)14-5-4-13-7-12-9(15)6-8(13)10(14)16;1-11(2,3)14-7-13-9-6-12-5-4-8(9)10(14)15;1-11(2,3)14-7-13-10(15)8-5-4-6-12-9(8)14;1-11(2,3)13-8-9-6-4-5-7-12(9)10(13)14;1-10(2,3)13-7(14)4-6-8(9(13)15)12-5-11-6;1-9(2,3)13-4-10-6-5(7(13)14)11-8(15)12-6;1-9(2,3)13-5-11-7-6(13)4-10-8(14)12-7;1-9(2,3)13-5-10-6-4-11-12-7(6)8(13)14;1-9(2,3)13-5-10-7-6(8(13)14)4-11-12-7;1-9(2,3)13-5-4-6-7(8(13)14)11-12-10-6;1-9(2,3)13-5-12-7-6(8(13)14)10-4-11-7;1-9(2,3)13-6-12-8-7(13)4-10-5-11-8;1-9(2,3)13-6-12-7-8(13)11-5-4-10-7;2*1-9(2,3)12-4-10-7-6(8(12)13)14-5-11-7;1-8(2,3)13-7(14)5-6(11-12-13)10-4-9-5;34*1-2/h7H,4-6H2,1-3H3;2*4-7H,1-3H3;7,12H,4-6H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;5H,4H2,1-3H3,(H,11,12);4-6H,1-3H3,(H2,11,12,15);5-7H,4H2,1-3H3,(H2,10,12,14);2*4-5H,1-3H3,(H,11,12);4-5H,1-3H3,(H,10,11,12);4-5H,1-3H3,(H,10,11);2*4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3,(H,9,10);34*1-2H3
InChIKeyLIHDFOVLXJNSNZ-UHFFFAOYSA-N
XLogP52.80
TPSA991.97 Ų
H-Bond Donors11
H-Bond Acceptors73
Rotatable Bonds
Heavy Atoms328
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004628.72
LogP ≤ 552.80
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1073

Analyze 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;7-tert-butyl-3,4,5,6-tetrahydro-1H-purin-2-one;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;ethane with MolForge

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Launch Full Analysis

Related Compounds

8-amino-2-methyl-1,7-dihydropurin-6-one;8-amino-3H-pyrido[3,4-d]pyrimidin-4-one;2-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;2-amino-7-(trifluoromethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,5-dimethylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;7-tert-butylpurin-8-amine;2,8-dimethyl-1,7-dihydropurin-6-one;2,5-dimethyl-3,7-dihydropyrrolo[3,2-d]pyrimidine-4,6-dione;2,7-dimethyl-1H-purin-6-one;3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;1-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;tridecakis(2-methylpropane);3-methyl-5H-triazolo[4,5-c]pyridin-4-one;1-methyl-6H-triazolo[4,5-d]pyridazin-7-one;3,5,6,8-tetrahydroquinazoline-4,7-dione
CID 159305573
1-methyl-N-(5-pyridin-2-yl-2-pyridinyl)imidazole-2-carboxamide;3-methyl-N-(5-pyridin-2-yl-2-pyridinyl)imidazole-4-carboxamide;1-methyl-N-(5-pyridin-2-yl-2-pyridinyl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrrolidine-3-carboxamide;N-(6-pyridin-2-yl-3-pyridinyl)benzamide;N-(5-pyridin-2-yl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxamide;N-(5-pyridin-2-yl-2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 157788240
CID 158072664
CID 158072664
5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;5,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;2-methyl-3,4-dihydroisoquinolin-1-one;6-methyl-7,8-dihydro-1,6-naphthyridin-5-one;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;6-methyl-2-(methylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;6-methyl-2-methylsulfanyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;5-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 158451338
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;cinnolin-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 158562217
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;cinnolin-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 160138013
8-amino-3-tert-butylpyrido[3,4-d]pyrimidin-4-one;2-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-amino-6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-chloropyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;3-tert-butyl-7-(dimethylamino)-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2,7-dimethylpurin-6-one;3-tert-butyl-2,5-dimethyl-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;3-tert-butylimidazo[4,5-b]pyrazin-2-amine;5-tert-butyl-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-5-methyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-4-one;1-tert-butyl-2-methylpyrido[2,3-d]pyrimidin-4-one;7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione;2-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-tert-butyl-3-methyltriazolo[4,5-c]pyridin-4-one;7-tert-butylpurin-8-amine
CID 161087819
5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;5,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;2-methyl-3,4-dihydroisoquinolin-1-one;6-methyl-7,8-dihydro-1,6-naphthyridin-5-one;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;6-methyl-2-(methylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;6-methyl-2-methylsulfanyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;5-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 161150587
cumene;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-2-propan-2-yl-3H-pyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;6-propan-2-yl-1,2,4-triazine
CID 161944870
CID 162271400
CID 162271400
5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butylimidazo[4,5-b]pyridine;6-tert-butyl-1H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;5-tert-butyl-2H-triazolo[4,5-d]pyridazin-4-one;ethane
CID 162282971
3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;5-tert-butyl-6-hydroxy-2H-imidazo[4,5-c]pyridin-4-one;2-tert-butyl-6H-imidazo[1,5-a]pyridine-3,5-dione;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butylimidazo[4,5-b]pyridine;6-tert-butyl-1H-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butylpyrido[3,4-d]pyrimidin-4-one;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;5-tert-butyl-2H-triazolo[4,5-d]pyridazin-4-one;ethane
CID 162282972

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;7-tert-butyl-3,4,5,6-tetrahydro-1H-purin-2-one;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;ethane?
The IUPAC name of 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;7-tert-butyl-3,4,5,6-tetrahydro-1H-purin-2-one;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;ethane (CID 162282991) is 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;7-tert-butyl-3,4,5,6-tetrahydro-1H-purin-2-one;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;ethane.
What is the SMILES notation for 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;7-tert-butyl-3,4,5,6-tetrahydro-1H-purin-2-one;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;ethane?
The canonical SMILES for 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;7-tert-butyl-3,4,5,6-tetrahydro-1H-purin-2-one;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1C(=O)Cc2[nH]cnc2C1=O.CC(C)(C)N1C=NC2NC(=O)NC2C1=O.CC(C)(C)N1C=NC2NC(=O)NCC21.CC(C)(C)n1cc2ccccn2c1=O.CC(C)(C)n1ccc2n[nH]nc2c1=O.CC(C)(C)n1ccc2nc(=O)ccn2c1=O.CC(C)(C)n1ccn2cnc(=O)cc2c1=O.CC(C)(C)n1cnc(=O)c2cccnc21.CC(C)(C)n1cnc2[nH]ncc2c1=O.CC(C)(C)n1cnc2c(c1=O)CCC(=O)C2.CC(C)(C)n1cnc2c(c1=O)CCNC2.CC(C)(C)n1cnc2cn[nH]c2c1=O.CC(C)(C)n1cnc2nc[nH]c2c1=S.CC(C)(C)n1cnc2nccnc21.CC(C)(C)n1cnc2ncncc21.CC(C)(C)n1cnc2ncoc2c1=O.CC(C)(C)n1cnc2ncsc2c1=O.CC(C)(C)n1nnc2nc[nH]c2c1=O.
What is the InChIKey of 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;7-tert-butyl-3,4,5,6-tetrahydro-1H-purin-2-one;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;ethane?
The InChIKey is LIHDFOVLXJNSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.2C11H13N3O2.C11H17N3O.C11H13N3O.C11H14N2O.C10H13N3O2.C9H14N4O2.C9H16N4O.3C9H12N4O.C9H12N4S.2C9H12N4.C9H11N3O2.C9H11N3OS.C8H11N5O.34C2H6/c1-12(2,3)14-7-13-10-6-8(15)4-5-9(10)11(14)16;1-11(2,3)14-7-4-8-12-9(15)5-6-13(8)10(14)16;1-11(2,3)14-5-4-13-7-12-9(15)6-8(13)10(14)16;1-11(2,3)14-7-13-9-6-12-5-4-8(9)10(14)15;1-11(2,3)14-7-13-10(15)8-5-4-6-12-9(8)14;1-11(2,3)13-8-9-6-4-5-7-12(9)10(13)14;1-10(2,3)13-7(14)4-6-8(9(13)15)12-5-11-6;1-9(2,3)13-4-10-6-5(7(13)14)11-8(15)12-6;1-9(2,3)13-5-11-7-6(13)4-10-8(14)12-7;1-9(2,3)13-5-10-6-4-11-12-7(6)8(13)14;1-9(2,3)13-5-10-7-6(8(13)14)4-11-12-7;1-9(2,3)13-5-4-6-7(8(13)14)11-12-10-6;1-9(2,3)13-5-12-7-6(8(13)14)10-4-11-7;1-9(2,3)13-6-12-8-7(13)4-10-5-11-8;1-9(2,3)13-6-12-7-8(13)11-5-4-10-7;2*1-9(2,3)12-4-10-7-6(8(12)13)14-5-11-7;1-8(2,3)13-7(14)5-6(11-12-13)10-4-9-5;34*1-2/h7H,4-6H2,1-3H3;2*4-7H,1-3H3;7,12H,4-6H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;5H,4H2,1-3H3,(H,11,12);4-6H,1-3H3,(H2,11,12,15);5-7H,4H2,1-3H3,(H2,10,12,14);2*4-5H,1-3H3,(H,11,12);4-5H,1-3H3,(H,10,11,12);4-5H,1-3H3,(H,10,11);2*4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3,(H,9,10);34*1-2H3.
What are the key properties of 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;7-tert-butyl-3,4,5,6-tetrahydro-1H-purin-2-one;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;ethane?
5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;7-tert-butyl-3,4,5,6-tetrahydro-1H-purin-2-one;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;ethane has a molecular weight of 4628.72 g/mol, XLogP of 52.80, 0 rotatable bonds, 11 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,7-dihydroimidazo[4,5-c]pyridine-4,6-dione;3-tert-butyl-6,8-dihydro-5H-quinazoline-4,7-dione;2-tert-butylimidazo[1,5-a]pyridin-3-one;3-tert-butylimidazo[4,5-b]pyrazine;3-tert-butyl-5H-imidazo[4,5-d]triazin-4-one;6-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidin-7-one;7-tert-butylpurine;1-tert-butyl-7H-purine-6-thione;2-tert-butylpyrazino[1,2-c]pyrimidine-1,8-dione;5-tert-butyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;6-tert-butyl-1H-pyrazolo[4,5-d]pyrimidin-7-one;1-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-tert-butylpyrimido[1,2-c]pyrimidine-2,6-dione;1-tert-butyl-4,5,7,9-tetrahydropurine-6,8-dione;7-tert-butyl-3,4,5,6-tetrahydro-1H-purin-2-one;3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;6-tert-butyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one;5-tert-butyl-2H-triazolo[4,5-c]pyridin-4-one;ethane is sourced from PubChem (CID 162282991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).