1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;phthalazine;7H-purine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine

C130H95N39O7S2 — CID 158334371

IUPAC1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;phthalazine;7H-purine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine
SMILESO=c1ccc2ccccc2o1.c1cc2cnoc2cn1.c1ccc(Cn2ncc3ccccc32)cc1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2cnoc2c1.c1cnc2ncccc2c1.c1ncc2[nH]cnc2n1.c1ncc2cc[nH]c2n1.c1ncc2ccoc2n1.c1ncc2ccsc2n1.c1ncc2ncoc2n1.c1ncc2ncsc2n1.c1ncc2oncc2n1
InChIInChI=1S/C14H12N2.C9H7N.C9H6O2.6C8H6N2.C6H5N3.3C6H4N2O.C6H4N2S.C5H4N4.2C5H3N3O.C5H3N3S/c1-2-6-12(7-3-1)11-16-14-9-5-4-8-13(14)10-15-16;1-2-6-9-8(4-1)5-3-7-10-9;10-9-6-5-7-3-1-2-4-8(7)11-9;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-10-8;1-2-8-6-5(1)3-7-4-9-6;1-2-9-6-5(1)3-7-4-8-6;1-2-7-4-6-5(1)3-8-9-6;1-2-6-5(7-3-1)4-8-9-6;1-2-9-6-5(1)3-7-4-8-6;1-4-5(8-2-6-1)9-3-7-4;1-4-5(7-2-6-1)9-3-8-4;1-4-5(9-8-1)2-6-3-7-4;1-4-5(7-2-6-1)9-3-8-4/h1-10H,11H2;1-7H;1-6H;6*1-6H;1-4H,(H,7,8,9);4*1-4H;1-3H,(H,6,7,8,9);3*1-3H
InChIKeyGQJZWESMURJRMF-UHFFFAOYSA-N
MW2379.59 g/mol
LogP25.88
Rot. Bonds2

About 1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;phthalazine;7H-purine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine

1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;phthalazine;7H-purine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine (PubChem CID 158334371) has the molecular formula C130H95N39O7S2 and a molecular weight of 2379.59 g/mol. Its IUPAC name is 1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;phthalazine;7H-purine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;phthalazine;7H-purine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine
PubChem CID158334371
Molecular FormulaC130H95N39O7S2
Molecular Weight2379.59 g/mol
Exact Mass2377.77
IUPAC Name1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;phthalazine;7H-purine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine
SMILESO=c1ccc2ccccc2o1.c1cc2cnoc2cn1.c1ccc(Cn2ncc3ccccc32)cc1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2cnoc2c1.c1cnc2ncccc2c1.c1ncc2[nH]cnc2n1.c1ncc2cc[nH]c2n1.c1ncc2ccoc2n1.c1ncc2ccsc2n1.c1ncc2ncoc2n1.c1ncc2ncsc2n1.c1ncc2oncc2n1
InChIInChI=1S/C14H12N2.C9H7N.C9H6O2.6C8H6N2.C6H5N3.3C6H4N2O.C6H4N2S.C5H4N4.2C5H3N3O.C5H3N3S/c1-2-6-12(7-3-1)11-16-14-9-5-4-8-13(14)10-15-16;1-2-6-9-8(4-1)5-3-7-10-9;10-9-6-5-7-3-1-2-4-8(7)11-9;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-10-8;1-2-8-6-5(1)3-7-4-9-6;1-2-9-6-5(1)3-7-4-8-6;1-2-7-4-6-5(1)3-8-9-6;1-2-6-5(7-3-1)4-8-9-6;1-2-9-6-5(1)3-7-4-8-6;1-4-5(8-2-6-1)9-3-7-4;1-4-5(7-2-6-1)9-3-8-4;1-4-5(9-8-1)2-6-3-7-4;1-4-5(7-2-6-1)9-3-8-4/h1-10H,11H2;1-7H;1-6H;6*1-6H;1-4H,(H,7,8,9);4*1-4H;1-3H,(H,6,7,8,9);3*1-3H
InChIKeyGQJZWESMURJRMF-UHFFFAOYSA-N
XLogP25.88
TPSA596.46 Ų
H-Bond Donors2
H-Bond Acceptors46
Rotatable Bonds2
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002379.59
LogP ≤ 525.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;phthalazine;7H-purine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine 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
1H-benzimidazole;1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;2-pyridin-3-yl-1,3-oxazole;3-(1H-pyrrol-2-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157674447
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
1,2-Dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 158253580
CID 158592718
CID 158592718
1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1H-imidazo[4,5-b]pyridine;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;2-pyridin-3-yl-1,3-oxazole;3-(1H-pyrrol-2-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159079495
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
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
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;6-methylimidazo[1,2-a]pyridine;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;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;bis(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;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161043810
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 1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;phthalazine;7H-purine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine?
The IUPAC name of 1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;phthalazine;7H-purine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine (CID 158334371) is 1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;phthalazine;7H-purine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine.
What is the SMILES notation for 1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;phthalazine;7H-purine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine?
The canonical SMILES for 1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;phthalazine;7H-purine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine is O=c1ccc2ccccc2o1.c1cc2cnoc2cn1.c1ccc(Cn2ncc3ccccc32)cc1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2cnoc2c1.c1cnc2ncccc2c1.c1ncc2[nH]cnc2n1.c1ncc2cc[nH]c2n1.c1ncc2ccoc2n1.c1ncc2ccsc2n1.c1ncc2ncoc2n1.c1ncc2ncsc2n1.c1ncc2oncc2n1.
What is the InChIKey of 1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;phthalazine;7H-purine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine?
The InChIKey is GQJZWESMURJRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.C9H7N.C9H6O2.6C8H6N2.C6H5N3.3C6H4N2O.C6H4N2S.C5H4N4.2C5H3N3O.C5H3N3S/c1-2-6-12(7-3-1)11-16-14-9-5-4-8-13(14)10-15-16;1-2-6-9-8(4-1)5-3-7-10-9;10-9-6-5-7-3-1-2-4-8(7)11-9;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-10-8;1-2-8-6-5(1)3-7-4-9-6;1-2-9-6-5(1)3-7-4-8-6;1-2-7-4-6-5(1)3-8-9-6;1-2-6-5(7-3-1)4-8-9-6;1-2-9-6-5(1)3-7-4-8-6;1-4-5(8-2-6-1)9-3-7-4;1-4-5(7-2-6-1)9-3-8-4;1-4-5(9-8-1)2-6-3-7-4;1-4-5(7-2-6-1)9-3-8-4/h1-10H,11H2;1-7H;1-6H;6*1-6H;1-4H,(H,7,8,9);4*1-4H;1-3H,(H,6,7,8,9);3*1-3H.
What are the key properties of 1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;phthalazine;7H-purine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine?
1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;phthalazine;7H-purine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine has a molecular weight of 2379.59 g/mol, XLogP of 25.88, 2 rotatable bonds, 2 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;phthalazine;7H-purine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine is sourced from PubChem (CID 158334371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).