4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine

C174H143N61O4S3 — CID 160705968

IUPAC4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine
SMILESC1=CC2CN=CC2S1.c1cc2[nH]ccc2cn1.c1cc2[nH]ncc2cn1.c1cc2c(cn1)CN=N2.c1cc2c(cn1)N=NC2.c1cc2cc[nH]c2cn1.c1cc2ccsc2cn1.c1cc2cn[nH]c2cn1.c1cc2nccn2cn1.c1cc2ncoc2cn1.c1cc2ocnc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CN=N2.c1ccc2oncc2c1.c1ccn2ccnc2c1.c1cn2ccnc2cn1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2c(c1)CN=N2.c1cnc2c(c1)N=NC2.c1cnc2cc[nH]c2c1.c1cnc2cn[nH]c2c1.c1cnc2nccn2c1.c1cnc2ocnc2c1.c1cnc2sccc2c1.c1cnn2ccnc2c1
InChIInChI=1S/C8H7N.7C7H6N2.C7H5NO.2C7H5NS.12C6H5N3.3C6H4N2O.C6H7NS/c1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-5-9-6-4-8-7(9)3-1;3*1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-3-9-4-2-8-6(9)5-7-1;2*1-2-7-3-5-4-8-9-6(1)5;2*1-2-7-4-6-5(1)3-8-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-6-7-4-5-9(6)8-3-1;2*1-2-5-6(7-3-1)4-8-9-5;2*1-2-5-4-8-9-6(5)7-3-1;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;1-2-8-6-4-7-3-5(1)6/h1-6,9H;3*1-5,9H;1-5H,(H,8,9);1-6H;1-4H,5H2;1-5H,(H,8,9);4*1-5H;1-3H,4H2;1-4H,(H,8,9);1-2,4H,3H2;1-4H,(H,8,9);3*1-5H;1-3H,4H2;1-4H,(H,8,9);1-3H,4H2;1-4H,(H,7,8,9);3*1-4H;1-2,4-6H,3H2
InChIKeyRRFRAEJVNAJBMT-UHFFFAOYSA-N
MW3248.68 g/mol
LogP38.47
Rot. Bonds

About 4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine

4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine (PubChem CID 160705968) has the molecular formula C174H143N61O4S3 and a molecular weight of 3248.68 g/mol. Its IUPAC name is 4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine.

Molecular Properties

Compound Name4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine
PubChem CID160705968
Molecular FormulaC174H143N61O4S3
Molecular Weight3248.68 g/mol
Exact Mass3246.20
IUPAC Name4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine
SMILESC1=CC2CN=CC2S1.c1cc2[nH]ccc2cn1.c1cc2[nH]ncc2cn1.c1cc2c(cn1)CN=N2.c1cc2c(cn1)N=NC2.c1cc2cc[nH]c2cn1.c1cc2ccsc2cn1.c1cc2cn[nH]c2cn1.c1cc2nccn2cn1.c1cc2ncoc2cn1.c1cc2ocnc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CN=N2.c1ccc2oncc2c1.c1ccn2ccnc2c1.c1cn2ccnc2cn1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2c(c1)CN=N2.c1cnc2c(c1)N=NC2.c1cnc2cc[nH]c2c1.c1cnc2cn[nH]c2c1.c1cnc2nccn2c1.c1cnc2ocnc2c1.c1cnc2sccc2c1.c1cnn2ccnc2c1
InChIInChI=1S/C8H7N.7C7H6N2.C7H5NO.2C7H5NS.12C6H5N3.3C6H4N2O.C6H7NS/c1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-5-9-6-4-8-7(9)3-1;3*1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-3-9-4-2-8-6(9)5-7-1;2*1-2-7-3-5-4-8-9-6(1)5;2*1-2-7-4-6-5(1)3-8-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-6-7-4-5-9(6)8-3-1;2*1-2-5-6(7-3-1)4-8-9-5;2*1-2-5-4-8-9-6(5)7-3-1;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;1-2-8-6-4-7-3-5(1)6/h1-6,9H;3*1-5,9H;1-5H,(H,8,9);1-6H;1-4H,5H2;1-5H,(H,8,9);4*1-5H;1-3H,4H2;1-4H,(H,8,9);1-2,4H,3H2;1-4H,(H,8,9);3*1-5H;1-3H,4H2;1-4H,(H,8,9);1-3H,4H2;1-4H,(H,7,8,9);3*1-4H;1-2,4-6H,3H2
InChIKeyRRFRAEJVNAJBMT-UHFFFAOYSA-N
XLogP38.47
TPSA819.62 Ų
H-Bond Donors10
H-Bond Acceptors58
Rotatable Bonds
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003248.68
LogP ≤ 538.47
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1058

Analyze 4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine 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
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;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;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 157712548
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;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;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;methane;2-methoxypyridine;3-methoxypyridine;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;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;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;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157989050
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;5H-imidazo[1,2-b]pyrazole;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;pyrimidine;1H-pyrrole;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;1,2,4-triazine;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158082249
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
CID 159108040
CID 159108040
CID 159320113
CID 159320113
bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
CID 159672532
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
CID 159991720
CID 159991720
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

Frequently Asked Questions

What is the IUPAC name of 4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine?
The IUPAC name of 4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine (CID 160705968) is 4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine.
What is the SMILES notation for 4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine?
The canonical SMILES for 4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine is C1=CC2CN=CC2S1.c1cc2[nH]ccc2cn1.c1cc2[nH]ncc2cn1.c1cc2c(cn1)CN=N2.c1cc2c(cn1)N=NC2.c1cc2cc[nH]c2cn1.c1cc2ccsc2cn1.c1cc2cn[nH]c2cn1.c1cc2nccn2cn1.c1cc2ncoc2cn1.c1cc2ocnc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CN=N2.c1ccc2oncc2c1.c1ccn2ccnc2c1.c1cn2ccnc2cn1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2c(c1)CN=N2.c1cnc2c(c1)N=NC2.c1cnc2cc[nH]c2c1.c1cnc2cn[nH]c2c1.c1cnc2nccn2c1.c1cnc2ocnc2c1.c1cnc2sccc2c1.c1cnn2ccnc2c1.
What is the InChIKey of 4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine?
The InChIKey is RRFRAEJVNAJBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.7C7H6N2.C7H5NO.2C7H5NS.12C6H5N3.3C6H4N2O.C6H7NS/c1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-5-9-6-4-8-7(9)3-1;3*1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-3-9-4-2-8-6(9)5-7-1;2*1-2-7-3-5-4-8-9-6(1)5;2*1-2-7-4-6-5(1)3-8-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-6-7-4-5-9(6)8-3-1;2*1-2-5-6(7-3-1)4-8-9-5;2*1-2-5-4-8-9-6(5)7-3-1;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;1-2-8-6-4-7-3-5(1)6/h1-6,9H;3*1-5,9H;1-5H,(H,8,9);1-6H;1-4H,5H2;1-5H,(H,8,9);4*1-5H;1-3H,4H2;1-4H,(H,8,9);1-2,4H,3H2;1-4H,(H,8,9);3*1-5H;1-3H,4H2;1-4H,(H,8,9);1-3H,4H2;1-4H,(H,7,8,9);3*1-4H;1-2,4-6H,3H2.
What are the key properties of 4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine?
4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine has a molecular weight of 3248.68 g/mol, XLogP of 38.47, 0 rotatable bonds, 10 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrazolo[3,4-b]pyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;3H-pyrazolo[3,4-c]pyridine;3H-pyrazolo[4,3-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine is sourced from PubChem (CID 160705968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).