3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine

C267H438N46O — CID 159091822

IUPAC3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C.CC(C)(C)c1cnc2ccccc2c1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2nccn12.CC(C)c1cccn2ccnc12.CC(C)c1ccn2ccnc2c1.CC(C)c1ccnc2ccccc12.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2ccccn12.c1c[nH]cn1.c1ccc2[nH]ncc2c1.c1ccn2cccc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccncc1.c1ccncc1.c1cn[nH]c1.c1cn[nH]n1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cocn1.c1nc[nH]n1.c1nn[nH]n1
InChIInChI=1S/C13H15N.C13H14.3C12H13N.6C10H12N2.C8H7N.3C7H6N2.2C6H5N3.2C5H5N.C5H12.13C4H10.2C3H4N2.C3H3NO.2C2H3N3.CH2N4.23CH4/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-5-12-6-4-11-10(12)7-9;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-4-3-6-12-7-5-11-10(9)12;1-8(2)9-4-3-5-10-11-6-7-12(9)10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-2-6-9-7-3-5-8(9)4-1;1-2-6-3-5-9-7(6)8-4-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-5-4-8-9-6(5)7-3-1;1-2-4-9-5-7-8-6(9)3-1;2*1-2-4-6-5-3-1;1-5(2,3)4;13*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;2*1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;/h4-9H,1-3H3;3-10H,1-2H3;3*3-9H,1-2H3;6*3-8H,1-2H3;1-7H;1-5H,(H,8,9);1-6H;1-5H,(H,8,9);1-4H,(H,7,8,9);1-5H;2*1-5H;1-4H3;13*4H,1-3H3;2*1-3H,(H,4,5);1-3H;2*1-2H,(H,3,4,5);1H,(H,2,3,4,5);23*1H4
InChIKeyKCDWHMDBAOQHLS-UHFFFAOYSA-N
MW4308.76 g/mol
LogP81.16
Rot. Bonds10

About 3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine

3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 159091822) has the molecular formula C267H438N46O and a molecular weight of 4308.76 g/mol. Its IUPAC name is 3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine
PubChem CID159091822
Molecular FormulaC267H438N46O
Molecular Weight4308.76 g/mol
Exact Mass4305.56
IUPAC Name3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C.CC(C)(C)c1cnc2ccccc2c1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2nccn12.CC(C)c1cccn2ccnc12.CC(C)c1ccn2ccnc2c1.CC(C)c1ccnc2ccccc12.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2ccccn12.c1c[nH]cn1.c1ccc2[nH]ncc2c1.c1ccn2cccc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccncc1.c1ccncc1.c1cn[nH]c1.c1cn[nH]n1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cocn1.c1nc[nH]n1.c1nn[nH]n1
InChIInChI=1S/C13H15N.C13H14.3C12H13N.6C10H12N2.C8H7N.3C7H6N2.2C6H5N3.2C5H5N.C5H12.13C4H10.2C3H4N2.C3H3NO.2C2H3N3.CH2N4.23CH4/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-5-12-6-4-11-10(12)7-9;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-4-3-6-12-7-5-11-10(9)12;1-8(2)9-4-3-5-10-11-6-7-12(9)10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-2-6-9-7-3-5-8(9)4-1;1-2-6-3-5-9-7(6)8-4-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-5-4-8-9-6(5)7-3-1;1-2-4-9-5-7-8-6(9)3-1;2*1-2-4-6-5-3-1;1-5(2,3)4;13*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;2*1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;/h4-9H,1-3H3;3-10H,1-2H3;3*3-9H,1-2H3;6*3-8H,1-2H3;1-7H;1-5H,(H,8,9);1-6H;1-5H,(H,8,9);1-4H,(H,7,8,9);1-5H;2*1-5H;1-4H3;13*4H,1-3H3;2*1-3H,(H,4,5);1-3H;2*1-2H,(H,3,4,5);1H,(H,2,3,4,5);23*1H4
InChIKeyKCDWHMDBAOQHLS-UHFFFAOYSA-N
XLogP81.16
TPSA552.96 Ų
H-Bond Donors8
H-Bond Acceptors39
Rotatable Bonds10
Heavy Atoms314
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004308.76
LogP ≤ 581.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1039

Analyze 3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone
CID 157073983
4-methyl-N-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide;1-methyl-N-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide;N-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 157141702
4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane
CID 157150330
3,6-ditert-butyl-5H-cyclopenta[b]pyrazine;2,6-ditert-butyl-7H-cyclopenta[b]pyridine;2,5-ditert-butyl-1H-imidazo[4,5-b]pyridine;2,6-ditert-butyl-1H-indene;2,5-ditert-butyl-1H-indole;2,5-ditert-butyl-3H-indole;2,5-ditert-butyl-3H-pyrrolo[2,3-b]pyridine;2,5-ditert-butyl-3H-pyrrolo[2,3-c]pyridine;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole
CID 157256365
1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;bis(2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline);1,2-di(propan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-di(propan-2-yl)imidazole;1,2-di(propan-2-yl)-1H-isoindol-2-ium;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole;methane
CID 157350478
4a,8a-Dihydroquinoxaline;benzimidazol-1-ide;carbazol-9-ide;methane;naphthalene;1,3,4-oxadiazole;1,3-oxazole;1,7-phenanthroline;1,10-phenanthroline;pyridine;pyrrol-1-ide;quinoline;tris(yttrium)
CID 157359835
3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,6-di(propan-2-yl)-7H-cyclopenta[d]pyrimidine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;2,8-di(propan-2-yl)-7H-purine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine
CID 157409423
4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 157430892
bis(imidazo[1,5-a]pyridine);indolizine;isoquinoline;octakis(2-methylpropane);3-propan-2-ylimidazo[1,2-a]pyridine;bis(5-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylisoquinoline;tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);4-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline
CID 157506820
1H-benzimidazole;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;1H-imidazole;isoquinoline;1,3-oxazole;phenanthridine;1,10-phenanthroline;pyrazine;pyridine;pyrimidine;quinazoline;1,3-thiazole;6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;1,3,5-triazine;1H-1,2,4-triazole
CID 157564355
bis(imidazo[1,5-a]pyridine);indolizine;pentakis(2-methylpropane);3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);4-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine
CID 157640361
4-propan-2-yl-1H-benzimidazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 157674778

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine (CID 159091822) is 3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C.CC(C)(C)c1cnc2ccccc2c1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2nccn12.CC(C)c1cccn2ccnc12.CC(C)c1ccn2ccnc2c1.CC(C)c1ccnc2ccccc12.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2ccccn12.c1c[nH]cn1.c1ccc2[nH]ncc2c1.c1ccn2cccc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccncc1.c1ccncc1.c1cn[nH]c1.c1cn[nH]n1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cocn1.c1nc[nH]n1.c1nn[nH]n1.
What is the InChIKey of 3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KCDWHMDBAOQHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C13H14.3C12H13N.6C10H12N2.C8H7N.3C7H6N2.2C6H5N3.2C5H5N.C5H12.13C4H10.2C3H4N2.C3H3NO.2C2H3N3.CH2N4.23CH4/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-5-12-6-4-11-10(12)7-9;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-4-3-6-12-7-5-11-10(9)12;1-8(2)9-4-3-5-10-11-6-7-12(9)10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-2-6-9-7-3-5-8(9)4-1;1-2-6-3-5-9-7(6)8-4-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-5-4-8-9-6(5)7-3-1;1-2-4-9-5-7-8-6(9)3-1;2*1-2-4-6-5-3-1;1-5(2,3)4;13*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;2*1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;/h4-9H,1-3H3;3-10H,1-2H3;3*3-9H,1-2H3;6*3-8H,1-2H3;1-7H;1-5H,(H,8,9);1-6H;1-5H,(H,8,9);1-4H,(H,7,8,9);1-5H;2*1-5H;1-4H3;13*4H,1-3H3;2*1-3H,(H,4,5);1-3H;2*1-2H,(H,3,4,5);1H,(H,2,3,4,5);23*1H4.
What are the key properties of 3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine?
3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 4308.76 g/mol, XLogP of 81.16, 10 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 159091822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).