8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline

C176H213BrN30O2 — CID 158545323

IUPAC8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline
SMILESCC(C)C(C)c1ccccc1.CC(C)Cc1c[nH]c2ncccc12.CC(C)Cc1ccc2c(c1)OCCO2.CC(C)Cc1ccc2ncccc2c1.CC(C)Cc1cccc2cccnc12.CC(C)Cc1ccccc1.CC(C)Cc1ccnc2ccccc12.CC(C)c1ccnc2c1cnn2C.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2cn[nH]c12.CC(C)c1ccnc2cnn(C)c12.CC(C)c1ncc(-c2cccnc2)cn1.CC(C)c1ncc(-c2ccncc2)cn1.CC(C)c1ncc2cn[nH]c2n1.CC(C)c1ncnc2c(Br)cccc12.CC(C)c1ncnc2c1C=NC2
InChIInChI=1S/3C13H15N.2C12H13N3.C12H13N.C12H16O2.C11H11BrN2.C11H14N2.C11H16.2C10H13N3.C10H14.2C9H11N3.C8H10N4/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-10(2)9-11-7-8-14-13-6-4-3-5-12(11)13;1-9(2)12-14-7-11(8-15-12)10-3-5-13-6-4-10;1-9(2)12-14-7-11(8-15-12)10-4-3-5-13-6-10;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11;1-7(2)10-8-4-3-5-9(12)11(8)14-6-13-10;1-8(2)6-9-7-13-11-10(9)4-3-5-12-11;1-9(2)10(3)11-7-5-4-6-8-11;1-7(2)8-4-5-11-9-6-12-13(3)10(8)9;1-7(2)8-4-5-11-10-9(8)6-12-13(10)3;1-9(2)8-10-6-4-3-5-7-10;1-6(2)9-7-3-10-4-8(7)11-5-12-9;1-6(2)7-3-4-10-8-5-11-12-9(7)8;1-5(2)7-9-3-6-4-10-12-8(6)11-7/h3-8,10H,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-8,10H,9H2,1-2H3;2*3-9H,1-2H3;3-9H,1-2H3;3-4,8-9H,5-7H2,1-2H3;3-7H,1-2H3;3-5,7-8H,6H2,1-2H3,(H,12,13);4-10H,1-3H3;2*4-7H,1-3H3;3-7,9H,8H2,1-2H3;3,5-6H,4H2,1-2H3;3-6H,1-2H3,(H,11,12);3-5H,1-2H3,(H,9,10,11,12)
InChIKeyHPAQFXMKSFEPMN-UHFFFAOYSA-N
MW2860.75 g/mol
LogP43.52
Rot. Bonds25

About 8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline

8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline (PubChem CID 158545323) has the molecular formula C176H213BrN30O2 and a molecular weight of 2860.75 g/mol. Its IUPAC name is 8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline.

Molecular Properties

Compound Name8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline
PubChem CID158545323
Molecular FormulaC176H213BrN30O2
Molecular Weight2860.75 g/mol
Exact Mass2857.67
IUPAC Name8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline
SMILESCC(C)C(C)c1ccccc1.CC(C)Cc1c[nH]c2ncccc12.CC(C)Cc1ccc2c(c1)OCCO2.CC(C)Cc1ccc2ncccc2c1.CC(C)Cc1cccc2cccnc12.CC(C)Cc1ccccc1.CC(C)Cc1ccnc2ccccc12.CC(C)c1ccnc2c1cnn2C.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2cn[nH]c12.CC(C)c1ccnc2cnn(C)c12.CC(C)c1ncc(-c2cccnc2)cn1.CC(C)c1ncc(-c2ccncc2)cn1.CC(C)c1ncc2cn[nH]c2n1.CC(C)c1ncnc2c(Br)cccc12.CC(C)c1ncnc2c1C=NC2
InChIInChI=1S/3C13H15N.2C12H13N3.C12H13N.C12H16O2.C11H11BrN2.C11H14N2.C11H16.2C10H13N3.C10H14.2C9H11N3.C8H10N4/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-10(2)9-11-7-8-14-13-6-4-3-5-12(11)13;1-9(2)12-14-7-11(8-15-12)10-3-5-13-6-4-10;1-9(2)12-14-7-11(8-15-12)10-4-3-5-13-6-10;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11;1-7(2)10-8-4-3-5-9(12)11(8)14-6-13-10;1-8(2)6-9-7-13-11-10(9)4-3-5-12-11;1-9(2)10(3)11-7-5-4-6-8-11;1-7(2)8-4-5-11-9-6-12-13(3)10(8)9;1-7(2)8-4-5-11-10-9(8)6-12-13(10)3;1-9(2)8-10-6-4-3-5-7-10;1-6(2)9-7-3-10-4-8(7)11-5-12-9;1-6(2)7-3-4-10-8-5-11-12-9(7)8;1-5(2)7-9-3-6-4-10-12-8(6)11-7/h3-8,10H,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-8,10H,9H2,1-2H3;2*3-9H,1-2H3;3-9H,1-2H3;3-4,8-9H,5-7H2,1-2H3;3-7H,1-2H3;3-5,7-8H,6H2,1-2H3,(H,12,13);4-10H,1-3H3;2*4-7H,1-3H3;3-7,9H,8H2,1-2H3;3,5-6H,4H2,1-2H3;3-6H,1-2H3,(H,11,12);3-5H,1-2H3,(H,9,10,11,12)
InChIKeyHPAQFXMKSFEPMN-UHFFFAOYSA-N
XLogP43.52
TPSA397.41 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002860.75
LogP ≤ 543.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze 8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline with MolForge

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Related Compounds

4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-methylbenzimidazol-5-yl]pyrimidin-2-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrazol-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-pyridin-4-ylbenzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
CID 158062262
6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-(3-cyclopropyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine
CID 158730247
CID 159190510
CID 159190510
4-[(3-bromophenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridine;4-[(2-ethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridine;N-(2-fluorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(3-fluorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(2-methylindazol-6-yl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine
CID 160493526
2,4-dimethyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-6-propan-2-ylpyrimidine;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;6-fluoro-2-propan-2-ylquinoxaline;methane;3-methyl-5-(oxan-4-yl)-2-propan-2-ylpyrazine;1-methyl-6-propan-2-ylpyrazolo[3,4-b]pyrazine;2-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine;6-propan-2-yl-1H-pyrazolo[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;4-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene;4-propan-2-yl-8-(trifluoromethyl)quinazoline
CID 161798511
8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole
CID 162038487
CID 167540057
CID 167540057
6-[[5-(1,3-Benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(2,3-dihydro-1-benzofuran-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(2-methoxypyrimidin-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 87411680
1-[6-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-8-(3H-indol-2-yl)-1-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-1-(1,8-naphthyridin-2-yl)-5-(7H-purin-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-4a-pyridin-2-yl-3-pyrimidin-2-yl-7-(1H-pyrrol-2-yl)-8-(2H-pyrrol-2-yl)-3-quinolin-2-yl-8a-(9H-xanthen-9-yl)naphthalen-2-yl]phthalazine
CID 153529136
3-[1-(4-fluorophenyl)pyrazol-4-yl]-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;3-(5-methyl-1H-pyrazol-4-yl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-c]pyrimidin-3-yl]quinoline;7-(4-propan-2-yloxyphenyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine
CID 157115670
[3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol;[3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid
CID 157282691
1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole
CID 157288945

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline?
The IUPAC name of 8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline (CID 158545323) is 8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline.
What is the SMILES notation for 8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline?
The canonical SMILES for 8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline is CC(C)C(C)c1ccccc1.CC(C)Cc1c[nH]c2ncccc12.CC(C)Cc1ccc2c(c1)OCCO2.CC(C)Cc1ccc2ncccc2c1.CC(C)Cc1cccc2cccnc12.CC(C)Cc1ccccc1.CC(C)Cc1ccnc2ccccc12.CC(C)c1ccnc2c1cnn2C.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2cn[nH]c12.CC(C)c1ccnc2cnn(C)c12.CC(C)c1ncc(-c2cccnc2)cn1.CC(C)c1ncc(-c2ccncc2)cn1.CC(C)c1ncc2cn[nH]c2n1.CC(C)c1ncnc2c(Br)cccc12.CC(C)c1ncnc2c1C=NC2.
What is the InChIKey of 8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline?
The InChIKey is HPAQFXMKSFEPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H15N.2C12H13N3.C12H13N.C12H16O2.C11H11BrN2.C11H14N2.C11H16.2C10H13N3.C10H14.2C9H11N3.C8H10N4/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-10(2)9-11-7-8-14-13-6-4-3-5-12(11)13;1-9(2)12-14-7-11(8-15-12)10-3-5-13-6-4-10;1-9(2)12-14-7-11(8-15-12)10-4-3-5-13-6-10;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11;1-7(2)10-8-4-3-5-9(12)11(8)14-6-13-10;1-8(2)6-9-7-13-11-10(9)4-3-5-12-11;1-9(2)10(3)11-7-5-4-6-8-11;1-7(2)8-4-5-11-9-6-12-13(3)10(8)9;1-7(2)8-4-5-11-10-9(8)6-12-13(10)3;1-9(2)8-10-6-4-3-5-7-10;1-6(2)9-7-3-10-4-8(7)11-5-12-9;1-6(2)7-3-4-10-8-5-11-12-9(7)8;1-5(2)7-9-3-6-4-10-12-8(6)11-7/h3-8,10H,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-8,10H,9H2,1-2H3;2*3-9H,1-2H3;3-9H,1-2H3;3-4,8-9H,5-7H2,1-2H3;3-7H,1-2H3;3-5,7-8H,6H2,1-2H3,(H,12,13);4-10H,1-3H3;2*4-7H,1-3H3;3-7,9H,8H2,1-2H3;3,5-6H,4H2,1-2H3;3-6H,1-2H3,(H,11,12);3-5H,1-2H3,(H,9,10,11,12).
What are the key properties of 8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline?
8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline has a molecular weight of 2860.75 g/mol, XLogP of 43.52, 25 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline is sourced from PubChem (CID 158545323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).