methane;nonadecakis(2-methylpropane);7-propan-2-ylfuro[2,3-b]pyridin-7-ium;6-propan-2-ylfuro[2,3-c]pyridin-6-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-4-ium;2-propan-2-ylphthalazin-2-ium;1-propan-2-ylpyrazin-1-ium;1-propan-2-ylpyridazin-1-ium;1-propan-2-ylpyrimidin-1-ium;bis(7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium);5-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-5-ium;bis(5-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-5-ium);tris(6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium);4-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-4-ium;7-propan-2-ylthieno[2,3-b]pyridin-7-ium;6-propan-2-ylthieno[2,3-c]pyridin-6-ium

C263H465N34O3S3+19 — CID 158626567

IUPACmethane;nonadecakis(2-methylpropane);7-propan-2-ylfuro[2,3-b]pyridin-7-ium;6-propan-2-ylfuro[2,3-c]pyridin-6-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-4-ium;2-propan-2-ylphthalazin-2-ium;1-propan-2-ylpyrazin-1-ium;1-propan-2-ylpyridazin-1-ium;1-propan-2-ylpyrimidin-1-ium;bis(7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium);5-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-5-ium;bis(5-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-5-ium);tris(6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium);4-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-4-ium;7-propan-2-ylthieno[2,3-b]pyridin-7-ium;6-propan-2-ylthieno[2,3-c]pyridin-6-ium
SMILESC.C.C.C.C.C.C.C.C.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)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)[n+]1cc2ccccc2cn1.CC(C)[n+]1cc[nH]c1.CC(C)[n+]1ccc2c(c1)C=NC2.CC(C)[n+]1ccc2c(c1)CC=N2.CC(C)[n+]1ccc2c(c1)CC=N2.CC(C)[n+]1ccc2c(c1)N=CC2.CC(C)[n+]1ccc2c(c1)N=CC2.CC(C)[n+]1ccc2c(c1)N=CC2.CC(C)[n+]1ccc2ccoc2c1.CC(C)[n+]1ccc2ccsc2c1.CC(C)[n+]1cccc2c1N=CC2.CC(C)[n+]1cccc2c1N=CC2.CC(C)[n+]1cccc2ccoc21.CC(C)[n+]1cccc2ccsc21.CC(C)[n+]1cccc2ncoc21.CC(C)[n+]1cccc2ncsc21.CC(C)[n+]1ccccn1.CC(C)[n+]1cccnc1.CC(C)[n+]1ccncc1
InChIInChI=1S/C11H13N2.8C10H13N2.2C10H12NO.2C10H12NS.C9H11N2O.C9H11N2S.3C7H11N2.C6H10N2.19C4H10.11CH4/c1-9(2)13-8-11-6-4-3-5-10(11)7-12-13;2*1-8(2)12-6-4-10-9(7-12)3-5-11-10;3*1-8(2)12-6-4-9-3-5-11-10(9)7-12;1-8(2)12-4-3-9-5-11-6-10(9)7-12;2*1-8(2)12-7-3-4-9-5-6-11-10(9)12;1-8(2)11-5-3-9-4-6-12-10(9)7-11;1-8(2)11-6-3-4-9-5-7-12-10(9)11;1-8(2)11-5-3-9-4-6-12-10(9)7-11;1-8(2)11-6-3-4-9-5-7-12-10(9)11;2*1-7(2)11-5-3-4-8-9(11)12-6-10-8;1-7(2)9-5-3-8-4-6-9;1-7(2)9-5-3-4-8-6-9;1-7(2)9-6-4-3-5-8-9;1-6(2)8-4-3-7-5-8;19*1-4(2)3;;;;;;;;;;;/h3-9H,1-2H3;5*4-8H,3H2,1-2H3;3*3-4,6-8H,5H2,1-2H3;4*3-8H,1-2H3;2*3-7H,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3;19*4H,1-3H3;11*1H4/q18*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p+1
InChIKeyHYQXTADPYSPJDB-UHFFFAOYSA-O
MW4248.05 g/mol
LogP72.60
Rot. Bonds19

About methane;nonadecakis(2-methylpropane);7-propan-2-ylfuro[2,3-b]pyridin-7-ium;6-propan-2-ylfuro[2,3-c]pyridin-6-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-4-ium;2-propan-2-ylphthalazin-2-ium;1-propan-2-ylpyrazin-1-ium;1-propan-2-ylpyridazin-1-ium;1-propan-2-ylpyrimidin-1-ium;bis(7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium);5-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-5-ium;bis(5-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-5-ium);tris(6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium);4-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-4-ium;7-propan-2-ylthieno[2,3-b]pyridin-7-ium;6-propan-2-ylthieno[2,3-c]pyridin-6-ium

methane;nonadecakis(2-methylpropane);7-propan-2-ylfuro[2,3-b]pyridin-7-ium;6-propan-2-ylfuro[2,3-c]pyridin-6-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-4-ium;2-propan-2-ylphthalazin-2-ium;1-propan-2-ylpyrazin-1-ium;1-propan-2-ylpyridazin-1-ium;1-propan-2-ylpyrimidin-1-ium;bis(7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium);5-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-5-ium;bis(5-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-5-ium);tris(6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium);4-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-4-ium;7-propan-2-ylthieno[2,3-b]pyridin-7-ium;6-propan-2-ylthieno[2,3-c]pyridin-6-ium (PubChem CID 158626567) has the molecular formula C263H465N34O3S3+19 and a molecular weight of 4248.05 g/mol. Its IUPAC name is methane;nonadecakis(2-methylpropane);7-propan-2-ylfuro[2,3-b]pyridin-7-ium;6-propan-2-ylfuro[2,3-c]pyridin-6-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-4-ium;2-propan-2-ylphthalazin-2-ium;1-propan-2-ylpyrazin-1-ium;1-propan-2-ylpyridazin-1-ium;1-propan-2-ylpyrimidin-1-ium;bis(7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium);5-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-5-ium;bis(5-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-5-ium);tris(6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium);4-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-4-ium;7-propan-2-ylthieno[2,3-b]pyridin-7-ium;6-propan-2-ylthieno[2,3-c]pyridin-6-ium.

Molecular Properties

Compound Namemethane;nonadecakis(2-methylpropane);7-propan-2-ylfuro[2,3-b]pyridin-7-ium;6-propan-2-ylfuro[2,3-c]pyridin-6-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-4-ium;2-propan-2-ylphthalazin-2-ium;1-propan-2-ylpyrazin-1-ium;1-propan-2-ylpyridazin-1-ium;1-propan-2-ylpyrimidin-1-ium;bis(7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium);5-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-5-ium;bis(5-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-5-ium);tris(6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium);4-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-4-ium;7-propan-2-ylthieno[2,3-b]pyridin-7-ium;6-propan-2-ylthieno[2,3-c]pyridin-6-ium
PubChem CID158626567
Molecular FormulaC263H465N34O3S3+19
Molecular Weight4248.05 g/mol
Exact Mass4244.63
IUPAC Namemethane;nonadecakis(2-methylpropane);7-propan-2-ylfuro[2,3-b]pyridin-7-ium;6-propan-2-ylfuro[2,3-c]pyridin-6-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-4-ium;2-propan-2-ylphthalazin-2-ium;1-propan-2-ylpyrazin-1-ium;1-propan-2-ylpyridazin-1-ium;1-propan-2-ylpyrimidin-1-ium;bis(7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium);5-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-5-ium;bis(5-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-5-ium);tris(6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium);4-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-4-ium;7-propan-2-ylthieno[2,3-b]pyridin-7-ium;6-propan-2-ylthieno[2,3-c]pyridin-6-ium
SMILESC.C.C.C.C.C.C.C.C.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)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)[n+]1cc2ccccc2cn1.CC(C)[n+]1cc[nH]c1.CC(C)[n+]1ccc2c(c1)C=NC2.CC(C)[n+]1ccc2c(c1)CC=N2.CC(C)[n+]1ccc2c(c1)CC=N2.CC(C)[n+]1ccc2c(c1)N=CC2.CC(C)[n+]1ccc2c(c1)N=CC2.CC(C)[n+]1ccc2c(c1)N=CC2.CC(C)[n+]1ccc2ccoc2c1.CC(C)[n+]1ccc2ccsc2c1.CC(C)[n+]1cccc2c1N=CC2.CC(C)[n+]1cccc2c1N=CC2.CC(C)[n+]1cccc2ccoc21.CC(C)[n+]1cccc2ccsc21.CC(C)[n+]1cccc2ncoc21.CC(C)[n+]1cccc2ncsc21.CC(C)[n+]1ccccn1.CC(C)[n+]1cccnc1.CC(C)[n+]1ccncc1
InChIInChI=1S/C11H13N2.8C10H13N2.2C10H12NO.2C10H12NS.C9H11N2O.C9H11N2S.3C7H11N2.C6H10N2.19C4H10.11CH4/c1-9(2)13-8-11-6-4-3-5-10(11)7-12-13;2*1-8(2)12-6-4-10-9(7-12)3-5-11-10;3*1-8(2)12-6-4-9-3-5-11-10(9)7-12;1-8(2)12-4-3-9-5-11-6-10(9)7-12;2*1-8(2)12-7-3-4-9-5-6-11-10(9)12;1-8(2)11-5-3-9-4-6-12-10(9)7-11;1-8(2)11-6-3-4-9-5-7-12-10(9)11;1-8(2)11-5-3-9-4-6-12-10(9)7-11;1-8(2)11-6-3-4-9-5-7-12-10(9)11;2*1-7(2)11-5-3-4-8-9(11)12-6-10-8;1-7(2)9-5-3-8-4-6-9;1-7(2)9-5-3-4-8-6-9;1-7(2)9-6-4-3-5-8-9;1-6(2)8-4-3-7-5-8;19*1-4(2)3;;;;;;;;;;;/h3-9H,1-2H3;5*4-8H,3H2,1-2H3;3*3-4,6-8H,5H2,1-2H3;4*3-8H,1-2H3;2*3-7H,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3;19*4H,1-3H3;11*1H4/q18*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p+1
InChIKeyHYQXTADPYSPJDB-UHFFFAOYSA-O
XLogP72.60
TPSA305.15 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms303
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004248.05
LogP ≤ 572.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze methane;nonadecakis(2-methylpropane);7-propan-2-ylfuro[2,3-b]pyridin-7-ium;6-propan-2-ylfuro[2,3-c]pyridin-6-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-4-ium;2-propan-2-ylphthalazin-2-ium;1-propan-2-ylpyrazin-1-ium;1-propan-2-ylpyridazin-1-ium;1-propan-2-ylpyrimidin-1-ium;bis(7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium);5-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-5-ium;bis(5-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-5-ium);tris(6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium);4-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-4-ium;7-propan-2-ylthieno[2,3-b]pyridin-7-ium;6-propan-2-ylthieno[2,3-c]pyridin-6-ium with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-benzofuran;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;2-ethyl-6-methoxypyridine;N-ethyl-N-methyl-1,3-thiazol-2-amine;2-fluoro-3-methylpyridine;2-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;2-pyrrolidin-1-yl-1,3-thiazole;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 157457452
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
2-tert-butylbenzonitrile;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylimidazole;2-tert-butyl-3H-indole;3-tert-butylisoquinoline;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;3-(2,2-dimethylpropyl)-1,1-difluorocyclobutane;4-(2,2-dimethylpropyl)oxane
CID 159544015
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 160409071
7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-tert-butyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-tert-butyl-2-pyrimidin-4-yl-1,3-oxazole;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine
CID 160608168
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
CID 160998536
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1H-indole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;3-ethenyl-2-methylpyridine;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;5-methylimidazo[1,2-c]pyrimidine;2-methyl-1H-imidazole;4-methyl-1H-indole;1-methylisoquinoline;4-(1-methylisoquinolin-3-yl)morpholine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;4-methylthieno[2,3-d]pyrimidine;4-methyl-2-(trifluoromethyl)-1H-indole;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 161326481
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 161372099
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 161651793
1-tert-butyl-4-propan-2-ylcyclohexane;2-tert-butyl-5-propan-2-ylthiophene;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;3,4-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)cyclohexane;1-ethyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-2H-pyrrole;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2,2,3-trimethylbutan-1-ol
CID 161694450

Frequently Asked Questions

What is the IUPAC name of methane;nonadecakis(2-methylpropane);7-propan-2-ylfuro[2,3-b]pyridin-7-ium;6-propan-2-ylfuro[2,3-c]pyridin-6-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-4-ium;2-propan-2-ylphthalazin-2-ium;1-propan-2-ylpyrazin-1-ium;1-propan-2-ylpyridazin-1-ium;1-propan-2-ylpyrimidin-1-ium;bis(7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium);5-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-5-ium;bis(5-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-5-ium);tris(6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium);4-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-4-ium;7-propan-2-ylthieno[2,3-b]pyridin-7-ium;6-propan-2-ylthieno[2,3-c]pyridin-6-ium?
The IUPAC name of methane;nonadecakis(2-methylpropane);7-propan-2-ylfuro[2,3-b]pyridin-7-ium;6-propan-2-ylfuro[2,3-c]pyridin-6-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-4-ium;2-propan-2-ylphthalazin-2-ium;1-propan-2-ylpyrazin-1-ium;1-propan-2-ylpyridazin-1-ium;1-propan-2-ylpyrimidin-1-ium;bis(7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium);5-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-5-ium;bis(5-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-5-ium);tris(6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium);4-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-4-ium;7-propan-2-ylthieno[2,3-b]pyridin-7-ium;6-propan-2-ylthieno[2,3-c]pyridin-6-ium (CID 158626567) is methane;nonadecakis(2-methylpropane);7-propan-2-ylfuro[2,3-b]pyridin-7-ium;6-propan-2-ylfuro[2,3-c]pyridin-6-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-4-ium;2-propan-2-ylphthalazin-2-ium;1-propan-2-ylpyrazin-1-ium;1-propan-2-ylpyridazin-1-ium;1-propan-2-ylpyrimidin-1-ium;bis(7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium);5-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-5-ium;bis(5-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-5-ium);tris(6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium);4-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-4-ium;7-propan-2-ylthieno[2,3-b]pyridin-7-ium;6-propan-2-ylthieno[2,3-c]pyridin-6-ium.
What is the SMILES notation for methane;nonadecakis(2-methylpropane);7-propan-2-ylfuro[2,3-b]pyridin-7-ium;6-propan-2-ylfuro[2,3-c]pyridin-6-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-4-ium;2-propan-2-ylphthalazin-2-ium;1-propan-2-ylpyrazin-1-ium;1-propan-2-ylpyridazin-1-ium;1-propan-2-ylpyrimidin-1-ium;bis(7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium);5-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-5-ium;bis(5-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-5-ium);tris(6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium);4-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-4-ium;7-propan-2-ylthieno[2,3-b]pyridin-7-ium;6-propan-2-ylthieno[2,3-c]pyridin-6-ium?
The canonical SMILES for methane;nonadecakis(2-methylpropane);7-propan-2-ylfuro[2,3-b]pyridin-7-ium;6-propan-2-ylfuro[2,3-c]pyridin-6-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-4-ium;2-propan-2-ylphthalazin-2-ium;1-propan-2-ylpyrazin-1-ium;1-propan-2-ylpyridazin-1-ium;1-propan-2-ylpyrimidin-1-ium;bis(7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium);5-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-5-ium;bis(5-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-5-ium);tris(6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium);4-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-4-ium;7-propan-2-ylthieno[2,3-b]pyridin-7-ium;6-propan-2-ylthieno[2,3-c]pyridin-6-ium is C.C.C.C.C.C.C.C.C.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)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)[n+]1cc2ccccc2cn1.CC(C)[n+]1cc[nH]c1.CC(C)[n+]1ccc2c(c1)C=NC2.CC(C)[n+]1ccc2c(c1)CC=N2.CC(C)[n+]1ccc2c(c1)CC=N2.CC(C)[n+]1ccc2c(c1)N=CC2.CC(C)[n+]1ccc2c(c1)N=CC2.CC(C)[n+]1ccc2c(c1)N=CC2.CC(C)[n+]1ccc2ccoc2c1.CC(C)[n+]1ccc2ccsc2c1.CC(C)[n+]1cccc2c1N=CC2.CC(C)[n+]1cccc2c1N=CC2.CC(C)[n+]1cccc2ccoc21.CC(C)[n+]1cccc2ccsc21.CC(C)[n+]1cccc2ncoc21.CC(C)[n+]1cccc2ncsc21.CC(C)[n+]1ccccn1.CC(C)[n+]1cccnc1.CC(C)[n+]1ccncc1.
What is the InChIKey of methane;nonadecakis(2-methylpropane);7-propan-2-ylfuro[2,3-b]pyridin-7-ium;6-propan-2-ylfuro[2,3-c]pyridin-6-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-4-ium;2-propan-2-ylphthalazin-2-ium;1-propan-2-ylpyrazin-1-ium;1-propan-2-ylpyridazin-1-ium;1-propan-2-ylpyrimidin-1-ium;bis(7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium);5-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-5-ium;bis(5-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-5-ium);tris(6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium);4-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-4-ium;7-propan-2-ylthieno[2,3-b]pyridin-7-ium;6-propan-2-ylthieno[2,3-c]pyridin-6-ium?
The InChIKey is HYQXTADPYSPJDB-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13N2.8C10H13N2.2C10H12NO.2C10H12NS.C9H11N2O.C9H11N2S.3C7H11N2.C6H10N2.19C4H10.11CH4/c1-9(2)13-8-11-6-4-3-5-10(11)7-12-13;2*1-8(2)12-6-4-10-9(7-12)3-5-11-10;3*1-8(2)12-6-4-9-3-5-11-10(9)7-12;1-8(2)12-4-3-9-5-11-6-10(9)7-12;2*1-8(2)12-7-3-4-9-5-6-11-10(9)12;1-8(2)11-5-3-9-4-6-12-10(9)7-11;1-8(2)11-6-3-4-9-5-7-12-10(9)11;1-8(2)11-5-3-9-4-6-12-10(9)7-11;1-8(2)11-6-3-4-9-5-7-12-10(9)11;2*1-7(2)11-5-3-4-8-9(11)12-6-10-8;1-7(2)9-5-3-8-4-6-9;1-7(2)9-5-3-4-8-6-9;1-7(2)9-6-4-3-5-8-9;1-6(2)8-4-3-7-5-8;19*1-4(2)3;;;;;;;;;;;/h3-9H,1-2H3;5*4-8H,3H2,1-2H3;3*3-4,6-8H,5H2,1-2H3;4*3-8H,1-2H3;2*3-7H,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3;19*4H,1-3H3;11*1H4/q18*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p+1.
What are the key properties of methane;nonadecakis(2-methylpropane);7-propan-2-ylfuro[2,3-b]pyridin-7-ium;6-propan-2-ylfuro[2,3-c]pyridin-6-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-4-ium;2-propan-2-ylphthalazin-2-ium;1-propan-2-ylpyrazin-1-ium;1-propan-2-ylpyridazin-1-ium;1-propan-2-ylpyrimidin-1-ium;bis(7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium);5-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-5-ium;bis(5-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-5-ium);tris(6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium);4-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-4-ium;7-propan-2-ylthieno[2,3-b]pyridin-7-ium;6-propan-2-ylthieno[2,3-c]pyridin-6-ium?
methane;nonadecakis(2-methylpropane);7-propan-2-ylfuro[2,3-b]pyridin-7-ium;6-propan-2-ylfuro[2,3-c]pyridin-6-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-4-ium;2-propan-2-ylphthalazin-2-ium;1-propan-2-ylpyrazin-1-ium;1-propan-2-ylpyridazin-1-ium;1-propan-2-ylpyrimidin-1-ium;bis(7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium);5-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-5-ium;bis(5-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-5-ium);tris(6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium);4-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-4-ium;7-propan-2-ylthieno[2,3-b]pyridin-7-ium;6-propan-2-ylthieno[2,3-c]pyridin-6-ium has a molecular weight of 4248.05 g/mol, XLogP of 72.60, 19 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for methane;nonadecakis(2-methylpropane);7-propan-2-ylfuro[2,3-b]pyridin-7-ium;6-propan-2-ylfuro[2,3-c]pyridin-6-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-4-ium;2-propan-2-ylphthalazin-2-ium;1-propan-2-ylpyrazin-1-ium;1-propan-2-ylpyridazin-1-ium;1-propan-2-ylpyrimidin-1-ium;bis(7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium);5-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-5-ium;bis(5-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-5-ium);tris(6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium);4-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-4-ium;7-propan-2-ylthieno[2,3-b]pyridin-7-ium;6-propan-2-ylthieno[2,3-c]pyridin-6-ium is sourced from PubChem (CID 158626567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).