methane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene

C81H86N16O2S2 — CID 160511021

IUPACmethane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene
SMILESC.C.Cc1ccccc1.Cc1ccccn1.Cc1ccnc2c1CC=N2.Cc1ccnc2ccccc12.Cc1ccnc2nc[nH]c12.Cc1ccnc2occc12.Cc1ccnc2sccc12.Cc1ccncc1.Cc1ccncn1.Cc1ncnc2ccoc12.Cc1ncnc2ccsc12
InChIInChI=1S/C10H9N.C8H8N2.C8H7NO.C8H7NS.C7H7N3.C7H6N2O.C7H6N2S.C7H8.2C6H7N.C5H6N2.2CH4/c1-8-6-7-11-10-5-3-2-4-9(8)10;3*1-6-2-4-9-8-7(6)3-5-10-8;1-5-2-3-8-7-6(5)9-4-10-7;2*1-5-7-6(2-3-10-7)9-4-8-5;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-7-5;;/h2-7H,1H3;2,4-5H,3H2,1H3;2*2-5H,1H3;2-4H,1H3,(H,8,9,10);2*2-4H,1H3;2-6H,1H3;2*2-5H,1H3;2-4H,1H3;2*1H4
InChIKeyQTAUWPYIWOCJDZ-UHFFFAOYSA-N
MW1379.82 g/mol
LogP20.56
Rot. Bonds

About methane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene

methane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene (PubChem CID 160511021) has the molecular formula C81H86N16O2S2 and a molecular weight of 1379.82 g/mol. Its IUPAC name is methane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene.

Molecular Properties

Compound Namemethane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene
PubChem CID160511021
Molecular FormulaC81H86N16O2S2
Molecular Weight1379.82 g/mol
Exact Mass1378.66
IUPAC Namemethane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene
SMILESC.C.Cc1ccccc1.Cc1ccccn1.Cc1ccnc2c1CC=N2.Cc1ccnc2ccccc12.Cc1ccnc2nc[nH]c12.Cc1ccnc2occc12.Cc1ccnc2sccc12.Cc1ccncc1.Cc1ccncn1.Cc1ncnc2ccoc12.Cc1ncnc2ccsc12
InChIInChI=1S/C10H9N.C8H8N2.C8H7NO.C8H7NS.C7H7N3.C7H6N2O.C7H6N2S.C7H8.2C6H7N.C5H6N2.2CH4/c1-8-6-7-11-10-5-3-2-4-9(8)10;3*1-6-2-4-9-8-7(6)3-5-10-8;1-5-2-3-8-7-6(5)9-4-10-7;2*1-5-7-6(2-3-10-7)9-4-8-5;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-7-5;;/h2-7H,1H3;2,4-5H,3H2,1H3;2*2-5H,1H3;2-4H,1H3,(H,8,9,10);2*2-4H,1H3;2-6H,1H3;2*2-5H,1H3;2-4H,1H3;2*1H4
InChIKeyQTAUWPYIWOCJDZ-UHFFFAOYSA-N
XLogP20.56
TPSA234.89 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001379.82
LogP ≤ 520.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze methane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene with MolForge

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Related Compounds

5-(7-Fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-[2-[4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzoxazole
CID 146601354
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
N-[2-[5-(furan-2-yl)-2-pyridinyl]ethyl]-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-(oxan-4-yl)-N-[2-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 157655987
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
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
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166
6-[4-(1,1-difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;methyl (E)-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]prop-2-enoate;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160204499
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
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-4-imidazol-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-(5,6-dimethyl-2-pyrido[2,3-b]pyrazin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol;6-ethyl-2,4-dipyridin-3-yloxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine;6-[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethylamino]pyridine-3-carboxylic acid;6-ethyl-4-(3-imidazol-1-ylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-ethyl-7-methyl-10-methylsulfanyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-5-one;tris(1,1,1-trifluoropropan-2-one)
CID 160899762
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

Frequently Asked Questions

What is the IUPAC name of methane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene?
The IUPAC name of methane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene (CID 160511021) is methane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene.
What is the SMILES notation for methane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene?
The canonical SMILES for methane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene is C.C.Cc1ccccc1.Cc1ccccn1.Cc1ccnc2c1CC=N2.Cc1ccnc2ccccc12.Cc1ccnc2nc[nH]c12.Cc1ccnc2occc12.Cc1ccnc2sccc12.Cc1ccncc1.Cc1ccncn1.Cc1ncnc2ccoc12.Cc1ncnc2ccsc12.
What is the InChIKey of methane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene?
The InChIKey is QTAUWPYIWOCJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C8H8N2.C8H7NO.C8H7NS.C7H7N3.C7H6N2O.C7H6N2S.C7H8.2C6H7N.C5H6N2.2CH4/c1-8-6-7-11-10-5-3-2-4-9(8)10;3*1-6-2-4-9-8-7(6)3-5-10-8;1-5-2-3-8-7-6(5)9-4-10-7;2*1-5-7-6(2-3-10-7)9-4-8-5;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-7-5;;/h2-7H,1H3;2,4-5H,3H2,1H3;2*2-5H,1H3;2-4H,1H3,(H,8,9,10);2*2-4H,1H3;2-6H,1H3;2*2-5H,1H3;2-4H,1H3;2*1H4.
What are the key properties of methane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene?
methane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene has a molecular weight of 1379.82 g/mol, XLogP of 20.56, 0 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene is sourced from PubChem (CID 160511021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).