3-tert-butyl-2-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-tert-butyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one;6-tert-butyl-5-propan-2-yl-2H-triazolo[4,5-d]pyrimidin-7-one;2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;7,8-di(propan-2-yl)-5,6-dihydropurine;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;5-phenyl-2,3-di(propan-2-yl)pyrazine

C224H303N41O11S2 — CID 157248016

IUPAC3-tert-butyl-2-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-tert-butyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one;6-tert-butyl-5-propan-2-yl-2H-triazolo[4,5-d]pyrimidin-7-one;2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;7,8-di(propan-2-yl)-5,6-dihydropurine;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;5-phenyl-2,3-di(propan-2-yl)pyrazine
SMILESCC(C)C1=NC2=NC=NC(=O)C2N1C(C)C.CC(C)C1=NC2=NC=NCC2N1C(C)C.CC(C)C1=Nc2ccccc2CN1C(C)C.CC(C)N1C(C(C)(C)C)=Nc2ccccc2S1(=O)=O.CC(C)c1[nH]c2ncccc2c(=O)c1C(C)C.CC(C)c1c(C(C)(C)C)nc2ccccn2c1=O.CC(C)c1cc2ccccc2c(=O)n1C(C)C.CC(C)c1cc2ccccc2nc1C(C)C.CC(C)c1cn2ccccc2c1C(C)C.CC(C)c1nc2[nH]ncc2c(=O)n1C(C)C.CC(C)c1nc2ccccc2c(=O)n1C(C)C.CC(C)c1nc2ccccc2n1C(C)C.CC(C)c1nc2ccccc2nc1C(C)C.CC(C)c1nc2n[nH]nc2c(=O)n1C(C)(C)C.CC(C)c1ncc(-c2ccccc2)nc1C(C)C.CC(C)n1c(C(C)(C)C)nc2sccc2c1=O.Cc1nc2ncccc2c(=O)n1C
InChIInChI=1S/C16H20N2.C15H20N2O.C15H19NO.C15H19N.C14H20N2O2S.2C14H18N2O.C14H20N2.C14H18N2.C14H19N.C13H18N2OS.C13H18N2.C11H17N5O.2C11H16N4O.C11H18N4.C9H9N3O/c1-11(2)15-16(12(3)4)18-14(10-17-15)13-8-6-5-7-9-13;1-10(2)12-13(15(3,4)5)16-11-8-6-7-9-17(11)14(12)18;1-10(2)14-9-12-7-5-6-8-13(12)15(17)16(14)11(3)4;1-10(2)13-9-12-7-5-6-8-14(12)16-15(13)11(3)4;1-10(2)16-13(14(3,4)5)15-11-8-6-7-9-12(11)19(16,17)18;1-9(2)13-15-12-8-6-5-7-11(12)14(17)16(13)10(3)4;1-8(2)11-12(9(3)4)16-14-10(13(11)17)6-5-7-15-14;1-10(2)14-15-13-8-6-5-7-12(13)9-16(14)11(3)4;1-9(2)13-14(10(3)4)16-12-8-6-5-7-11(12)15-13;1-10(2)12-9-15-8-6-5-7-13(15)14(12)11(3)4;1-8(2)15-11(16)9-6-7-17-10(9)14-12(15)13(3,4)5;1-9(2)13-14-11-7-5-6-8-12(11)15(13)10(3)4;1-6(2)9-12-8-7(13-15-14-8)10(17)16(9)11(3,4)5;1-6(2)10-14-9-8(15(10)7(3)4)11(16)13-5-12-9;1-6(2)10-13-9-8(5-12-14-9)11(16)15(10)7(3)4;1-7(2)11-14-10-9(5-12-6-13-10)15(11)8(3)4;1-6-11-8-7(4-3-5-10-8)9(13)12(6)2/h5-12H,1-4H3;6-10H,1-5H3;5-11H,1-4H3;5-11H,1-4H3;6-10H,1-5H3;5-10H,1-4H3;5-9H,1-4H3,(H,15,16,17);5-8,10-11H,9H2,1-4H3;5-10H,1-4H3;5-11H,1-4H3;6-8H,1-5H3;5-10H,1-4H3;6H,1-5H3,(H,13,14,15);5-8H,1-4H3;5-7H,1-4H3,(H,12,14);6-9H,5H2,1-4H3;3-5H,1-2H3
InChIKeyAVZYUWDXMRBHHS-UHFFFAOYSA-N
MW3810.30 g/mol
LogP50.40
Rot. Bonds29

About 3-tert-butyl-2-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-tert-butyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one;6-tert-butyl-5-propan-2-yl-2H-triazolo[4,5-d]pyrimidin-7-one;2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;7,8-di(propan-2-yl)-5,6-dihydropurine;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;5-phenyl-2,3-di(propan-2-yl)pyrazine

3-tert-butyl-2-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-tert-butyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one;6-tert-butyl-5-propan-2-yl-2H-triazolo[4,5-d]pyrimidin-7-one;2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;7,8-di(propan-2-yl)-5,6-dihydropurine;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;5-phenyl-2,3-di(propan-2-yl)pyrazine (PubChem CID 157248016) has the molecular formula C224H303N41O11S2 and a molecular weight of 3810.30 g/mol. Its IUPAC name is 3-tert-butyl-2-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-tert-butyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one;6-tert-butyl-5-propan-2-yl-2H-triazolo[4,5-d]pyrimidin-7-one;2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;7,8-di(propan-2-yl)-5,6-dihydropurine;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;5-phenyl-2,3-di(propan-2-yl)pyrazine.

Molecular Properties

Compound Name3-tert-butyl-2-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-tert-butyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one;6-tert-butyl-5-propan-2-yl-2H-triazolo[4,5-d]pyrimidin-7-one;2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;7,8-di(propan-2-yl)-5,6-dihydropurine;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;5-phenyl-2,3-di(propan-2-yl)pyrazine
PubChem CID157248016
Molecular FormulaC224H303N41O11S2
Molecular Weight3810.30 g/mol
Exact Mass3807.39
IUPAC Name3-tert-butyl-2-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-tert-butyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one;6-tert-butyl-5-propan-2-yl-2H-triazolo[4,5-d]pyrimidin-7-one;2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;7,8-di(propan-2-yl)-5,6-dihydropurine;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;5-phenyl-2,3-di(propan-2-yl)pyrazine
SMILESCC(C)C1=NC2=NC=NC(=O)C2N1C(C)C.CC(C)C1=NC2=NC=NCC2N1C(C)C.CC(C)C1=Nc2ccccc2CN1C(C)C.CC(C)N1C(C(C)(C)C)=Nc2ccccc2S1(=O)=O.CC(C)c1[nH]c2ncccc2c(=O)c1C(C)C.CC(C)c1c(C(C)(C)C)nc2ccccn2c1=O.CC(C)c1cc2ccccc2c(=O)n1C(C)C.CC(C)c1cc2ccccc2nc1C(C)C.CC(C)c1cn2ccccc2c1C(C)C.CC(C)c1nc2[nH]ncc2c(=O)n1C(C)C.CC(C)c1nc2ccccc2c(=O)n1C(C)C.CC(C)c1nc2ccccc2n1C(C)C.CC(C)c1nc2ccccc2nc1C(C)C.CC(C)c1nc2n[nH]nc2c(=O)n1C(C)(C)C.CC(C)c1ncc(-c2ccccc2)nc1C(C)C.CC(C)n1c(C(C)(C)C)nc2sccc2c1=O.Cc1nc2ncccc2c(=O)n1C
InChIInChI=1S/C16H20N2.C15H20N2O.C15H19NO.C15H19N.C14H20N2O2S.2C14H18N2O.C14H20N2.C14H18N2.C14H19N.C13H18N2OS.C13H18N2.C11H17N5O.2C11H16N4O.C11H18N4.C9H9N3O/c1-11(2)15-16(12(3)4)18-14(10-17-15)13-8-6-5-7-9-13;1-10(2)12-13(15(3,4)5)16-11-8-6-7-9-17(11)14(12)18;1-10(2)14-9-12-7-5-6-8-13(12)15(17)16(14)11(3)4;1-10(2)13-9-12-7-5-6-8-14(12)16-15(13)11(3)4;1-10(2)16-13(14(3,4)5)15-11-8-6-7-9-12(11)19(16,17)18;1-9(2)13-15-12-8-6-5-7-11(12)14(17)16(13)10(3)4;1-8(2)11-12(9(3)4)16-14-10(13(11)17)6-5-7-15-14;1-10(2)14-15-13-8-6-5-7-12(13)9-16(14)11(3)4;1-9(2)13-14(10(3)4)16-12-8-6-5-7-11(12)15-13;1-10(2)12-9-15-8-6-5-7-13(15)14(12)11(3)4;1-8(2)15-11(16)9-6-7-17-10(9)14-12(15)13(3,4)5;1-9(2)13-14-11-7-5-6-8-12(11)15(13)10(3)4;1-6(2)9-12-8-7(13-15-14-8)10(17)16(9)11(3,4)5;1-6(2)10-14-9-8(15(10)7(3)4)11(16)13-5-12-9;1-6(2)10-13-9-8(5-12-14-9)11(16)15(10)7(3)4;1-7(2)11-14-10-9(5-12-6-13-10)15(11)8(3)4;1-6-11-8-7(4-3-5-10-8)9(13)12(6)2/h5-12H,1-4H3;6-10H,1-5H3;5-11H,1-4H3;5-11H,1-4H3;6-10H,1-5H3;5-10H,1-4H3;5-9H,1-4H3,(H,15,16,17);5-8,10-11H,9H2,1-4H3;5-10H,1-4H3;5-11H,1-4H3;6-8H,1-5H3;5-10H,1-4H3;6H,1-5H3,(H,13,14,15);5-8H,1-4H3;5-7H,1-4H3,(H,12,14);6-9H,5H2,1-4H3;3-5H,1-2H3
InChIKeyAVZYUWDXMRBHHS-UHFFFAOYSA-N
XLogP50.40
TPSA609.44 Ų
H-Bond Donors3
H-Bond Acceptors48
Rotatable Bonds29
Heavy Atoms278
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003810.30
LogP ≤ 550.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1048

Analyze 3-tert-butyl-2-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-tert-butyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one;6-tert-butyl-5-propan-2-yl-2H-triazolo[4,5-d]pyrimidin-7-one;2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;7,8-di(propan-2-yl)-5,6-dihydropurine;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;5-phenyl-2,3-di(propan-2-yl)pyrazine with MolForge

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Launch Full Analysis

Related Compounds

methane;3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-yl-3H-indol-2-one;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157114759
CID 157708656
CID 157708656
1H-benzimidazol-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[2-(1,1-difluoroethyl)-3-fluorophenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;isoquinolin-8-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone
CID 158086590
CID 160104624
CID 160104624
3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 160413058
[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(1,3-thiazol-2-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 162287462
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanimine
CID 162287467
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 162287555
ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine
CID 157276666
2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1lambda6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine
CID 157322771
2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1lambda6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;methane;2-methyl-4,5-di(propan-2-yl)pyrimidine
CID 157366154
1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;5-tert-butyl-N,N-dimethylpyridin-3-amine;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylbenzene;6-tert-butyl-1-methylindazole;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;1-(2-tert-butylphenyl)propan-1-one;5-(2-tert-butylphenyl)-3H-pyrrole;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;2-tert-butyl-3-propan-2-ylpyridine;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;methane
CID 157519181

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-tert-butyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one;6-tert-butyl-5-propan-2-yl-2H-triazolo[4,5-d]pyrimidin-7-one;2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;7,8-di(propan-2-yl)-5,6-dihydropurine;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;5-phenyl-2,3-di(propan-2-yl)pyrazine?
The IUPAC name of 3-tert-butyl-2-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-tert-butyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one;6-tert-butyl-5-propan-2-yl-2H-triazolo[4,5-d]pyrimidin-7-one;2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;7,8-di(propan-2-yl)-5,6-dihydropurine;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;5-phenyl-2,3-di(propan-2-yl)pyrazine (CID 157248016) is 3-tert-butyl-2-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-tert-butyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one;6-tert-butyl-5-propan-2-yl-2H-triazolo[4,5-d]pyrimidin-7-one;2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;7,8-di(propan-2-yl)-5,6-dihydropurine;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;5-phenyl-2,3-di(propan-2-yl)pyrazine.
What is the SMILES notation for 3-tert-butyl-2-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-tert-butyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one;6-tert-butyl-5-propan-2-yl-2H-triazolo[4,5-d]pyrimidin-7-one;2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;7,8-di(propan-2-yl)-5,6-dihydropurine;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;5-phenyl-2,3-di(propan-2-yl)pyrazine?
The canonical SMILES for 3-tert-butyl-2-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-tert-butyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one;6-tert-butyl-5-propan-2-yl-2H-triazolo[4,5-d]pyrimidin-7-one;2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;7,8-di(propan-2-yl)-5,6-dihydropurine;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;5-phenyl-2,3-di(propan-2-yl)pyrazine is CC(C)C1=NC2=NC=NC(=O)C2N1C(C)C.CC(C)C1=NC2=NC=NCC2N1C(C)C.CC(C)C1=Nc2ccccc2CN1C(C)C.CC(C)N1C(C(C)(C)C)=Nc2ccccc2S1(=O)=O.CC(C)c1[nH]c2ncccc2c(=O)c1C(C)C.CC(C)c1c(C(C)(C)C)nc2ccccn2c1=O.CC(C)c1cc2ccccc2c(=O)n1C(C)C.CC(C)c1cc2ccccc2nc1C(C)C.CC(C)c1cn2ccccc2c1C(C)C.CC(C)c1nc2[nH]ncc2c(=O)n1C(C)C.CC(C)c1nc2ccccc2c(=O)n1C(C)C.CC(C)c1nc2ccccc2n1C(C)C.CC(C)c1nc2ccccc2nc1C(C)C.CC(C)c1nc2n[nH]nc2c(=O)n1C(C)(C)C.CC(C)c1ncc(-c2ccccc2)nc1C(C)C.CC(C)n1c(C(C)(C)C)nc2sccc2c1=O.Cc1nc2ncccc2c(=O)n1C.
What is the InChIKey of 3-tert-butyl-2-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-tert-butyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one;6-tert-butyl-5-propan-2-yl-2H-triazolo[4,5-d]pyrimidin-7-one;2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;7,8-di(propan-2-yl)-5,6-dihydropurine;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;5-phenyl-2,3-di(propan-2-yl)pyrazine?
The InChIKey is AVZYUWDXMRBHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.C15H20N2O.C15H19NO.C15H19N.C14H20N2O2S.2C14H18N2O.C14H20N2.C14H18N2.C14H19N.C13H18N2OS.C13H18N2.C11H17N5O.2C11H16N4O.C11H18N4.C9H9N3O/c1-11(2)15-16(12(3)4)18-14(10-17-15)13-8-6-5-7-9-13;1-10(2)12-13(15(3,4)5)16-11-8-6-7-9-17(11)14(12)18;1-10(2)14-9-12-7-5-6-8-13(12)15(17)16(14)11(3)4;1-10(2)13-9-12-7-5-6-8-14(12)16-15(13)11(3)4;1-10(2)16-13(14(3,4)5)15-11-8-6-7-9-12(11)19(16,17)18;1-9(2)13-15-12-8-6-5-7-11(12)14(17)16(13)10(3)4;1-8(2)11-12(9(3)4)16-14-10(13(11)17)6-5-7-15-14;1-10(2)14-15-13-8-6-5-7-12(13)9-16(14)11(3)4;1-9(2)13-14(10(3)4)16-12-8-6-5-7-11(12)15-13;1-10(2)12-9-15-8-6-5-7-13(15)14(12)11(3)4;1-8(2)15-11(16)9-6-7-17-10(9)14-12(15)13(3,4)5;1-9(2)13-14-11-7-5-6-8-12(11)15(13)10(3)4;1-6(2)9-12-8-7(13-15-14-8)10(17)16(9)11(3,4)5;1-6(2)10-14-9-8(15(10)7(3)4)11(16)13-5-12-9;1-6(2)10-13-9-8(5-12-14-9)11(16)15(10)7(3)4;1-7(2)11-14-10-9(5-12-6-13-10)15(11)8(3)4;1-6-11-8-7(4-3-5-10-8)9(13)12(6)2/h5-12H,1-4H3;6-10H,1-5H3;5-11H,1-4H3;5-11H,1-4H3;6-10H,1-5H3;5-10H,1-4H3;5-9H,1-4H3,(H,15,16,17);5-8,10-11H,9H2,1-4H3;5-10H,1-4H3;5-11H,1-4H3;6-8H,1-5H3;5-10H,1-4H3;6H,1-5H3,(H,13,14,15);5-8H,1-4H3;5-7H,1-4H3,(H,12,14);6-9H,5H2,1-4H3;3-5H,1-2H3.
What are the key properties of 3-tert-butyl-2-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-tert-butyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one;6-tert-butyl-5-propan-2-yl-2H-triazolo[4,5-d]pyrimidin-7-one;2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;7,8-di(propan-2-yl)-5,6-dihydropurine;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;5-phenyl-2,3-di(propan-2-yl)pyrazine?
3-tert-butyl-2-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-tert-butyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one;6-tert-butyl-5-propan-2-yl-2H-triazolo[4,5-d]pyrimidin-7-one;2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;7,8-di(propan-2-yl)-5,6-dihydropurine;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;5-phenyl-2,3-di(propan-2-yl)pyrazine has a molecular weight of 3810.30 g/mol, XLogP of 50.40, 29 rotatable bonds, 3 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-propan-2-yl-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-tert-butyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one;6-tert-butyl-5-propan-2-yl-2H-triazolo[4,5-d]pyrimidin-7-one;2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;7,8-di(propan-2-yl)-5,6-dihydropurine;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;5-phenyl-2,3-di(propan-2-yl)pyrazine is sourced from PubChem (CID 157248016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).