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

C224H188N86OS3 — CID 159559036

IUPAC4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;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;pyrazolo[1,5-c]pyrimidine;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;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=CC2CN=CC2S1.c1cc2[nH]ccc2cn1.c1cc2[nH]ncc2cn1.c1cc2c(cn1)CN=N2.c1cc2c(cn1)N=NC2.c1cc2cc[nH]c2cn1.c1cc2ccnn2cn1.c1cc2ccsc2cn1.c1cc2cn[nH]c2cn1.c1cc2cncn2cn1.c1cc2nccn2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CN=N2.c1ccc2oncc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cn2cncc2cn1.c1cn2nccc2cn1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2c(c1)CN=N2.c1cnc2c(c1)N=NC2.c1cnc2cc[nH]c2c1.c1cnc2ccnn2c1.c1cnc2cn[nH]c2c1.c1cnc2cncn2c1.c1cnc2nccn2c1.c1cnc2sccc2c1.c1cnn2ccnc2c1.c1cnn2cncc2c1
InChIInChI=1S/C8H7N.9C7H6N2.C7H5NO.2C7H5NS.21C6H5N3.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;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(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;1-3-7-5-9-6(1)2-4-8-9;1-3-7-6-2-4-8-9(6)5-1;1-2-9-5-8-4-6(9)3-7-1;1-2-7-4-9-5-8-3-6(1)9;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;1-2-8-9-4-3-7-5-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-8-6-4-7-5-9(6)3-1;1-2-6-4-7-5-9(6)8-3-1;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;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-2-8-6-4-7-3-5(1)6/h1-6,9H;3*1-5,9H;1-5H,(H,8,9);3*1-6H;1-4H,5H2;1-5H,(H,8,9);8*1-5H;1-3H,4H2;1-4H,(H,8,9);1-2,4H,3H2;1-4H,(H,8,9);6*1-5H;1-3H,4H2;1-4H,(H,8,9);1-3H,4H2;1-4H,(H,7,8,9);2*1-5H;1-2,4-6H,3H2
InChIKeyMGJDXIKETYOHEJ-UHFFFAOYSA-N
MW4196.77 g/mol
LogP44.03
Rot. Bonds

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

4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;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;pyrazolo[1,5-c]pyrimidine;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;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 159559036) has the molecular formula C224H188N86OS3 and a molecular weight of 4196.77 g/mol. Its IUPAC name is 4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;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;pyrazolo[1,5-c]pyrimidine;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;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;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;pyrazolo[1,5-c]pyrimidine;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;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
PubChem CID159559036
Molecular FormulaC224H188N86OS3
Molecular Weight4196.77 g/mol
Exact Mass4193.65
IUPAC Name4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;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;pyrazolo[1,5-c]pyrimidine;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;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=CC2CN=CC2S1.c1cc2[nH]ccc2cn1.c1cc2[nH]ncc2cn1.c1cc2c(cn1)CN=N2.c1cc2c(cn1)N=NC2.c1cc2cc[nH]c2cn1.c1cc2ccnn2cn1.c1cc2ccsc2cn1.c1cc2cn[nH]c2cn1.c1cc2cncn2cn1.c1cc2nccn2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CN=N2.c1ccc2oncc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cn2cncc2cn1.c1cn2nccc2cn1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2c(c1)CN=N2.c1cnc2c(c1)N=NC2.c1cnc2cc[nH]c2c1.c1cnc2ccnn2c1.c1cnc2cn[nH]c2c1.c1cnc2cncn2c1.c1cnc2nccn2c1.c1cnc2sccc2c1.c1cnn2ccnc2c1.c1cnn2cncc2c1
InChIInChI=1S/C8H7N.9C7H6N2.C7H5NO.2C7H5NS.21C6H5N3.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;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(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;1-3-7-5-9-6(1)2-4-8-9;1-3-7-6-2-4-8-9(6)5-1;1-2-9-5-8-4-6(9)3-7-1;1-2-7-4-9-5-8-3-6(1)9;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;1-2-8-9-4-3-7-5-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-8-6-4-7-5-9(6)3-1;1-2-6-4-7-5-9(6)8-3-1;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;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-2-8-6-4-7-3-5(1)6/h1-6,9H;3*1-5,9H;1-5H,(H,8,9);3*1-6H;1-4H,5H2;1-5H,(H,8,9);8*1-5H;1-3H,4H2;1-4H,(H,8,9);1-2,4H,3H2;1-4H,(H,8,9);6*1-5H;1-3H,4H2;1-4H,(H,8,9);1-3H,4H2;1-4H,(H,7,8,9);2*1-5H;1-2,4-6H,3H2
InChIKeyMGJDXIKETYOHEJ-UHFFFAOYSA-N
XLogP44.03
TPSA1009.17 Ų
H-Bond Donors10
H-Bond Acceptors80
Rotatable Bonds
Heavy Atoms314
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004196.77
LogP ≤ 544.03
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1080

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

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Related Compounds

CID 167564541
CID 167564541
1-benzofuran;1-benzothiophene;furo[2,3-b]pyridine;furo[2,3-c]pyridazine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;bis(imidazo[1,2-a]pyrazine);imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine
CID 157053356
1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
CID 157115459
3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 157117987
3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine)
CID 157130056
1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;bis(1H-indazole);1H-indole;indolizine;2H-isoindole;7H-purine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-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
CID 157189729
1-benzothiophene;furan;imidazo[1,2-a]pyrazine;imidazo[1,2-b]pyridazine;1H-indazole;2H-indene;1H-indole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyrimidine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene
CID 157229700
3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;benzene;1,2-benzoxazole;2-benzylpyrimidine;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;bis(imidazo[1,2-a]pyrazine);bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-isoindole;isoquinoline;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;quinazoline;3H-quinazolin-4-one;quinoline;quinoxaline
CID 157236367
3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;benzene;1,2-benzoxazole;2-benzylpyrimidine;7H-cyclopenta[b]pyridine;bis(cyclopenta-1,3-diene);tetrakis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-isoindole;naphthalene;pyrazine;bis(pyridine);pyrimidine;quinazoline;3H-quinazolin-4-one;quinoline;quinoxaline
CID 157254504
ethane;furan;1H-imidazole;1H-indole;methane;1,2-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157263132
6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane
CID 157279739
1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;bis(1H-indazole);1H-indole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine
CID 157300964

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[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;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;pyrazolo[1,5-c]pyrimidine;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;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;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;pyrazolo[1,5-c]pyrimidine;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;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (CID 159559036) is 4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;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;pyrazolo[1,5-c]pyrimidine;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;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]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[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;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;pyrazolo[1,5-c]pyrimidine;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;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;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;pyrazolo[1,5-c]pyrimidine;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;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is C1=CC2CN=CC2S1.c1cc2[nH]ccc2cn1.c1cc2[nH]ncc2cn1.c1cc2c(cn1)CN=N2.c1cc2c(cn1)N=NC2.c1cc2cc[nH]c2cn1.c1cc2ccnn2cn1.c1cc2ccsc2cn1.c1cc2cn[nH]c2cn1.c1cc2cncn2cn1.c1cc2nccn2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CN=N2.c1ccc2oncc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cn2cncc2cn1.c1cn2nccc2cn1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2c(c1)CN=N2.c1cnc2c(c1)N=NC2.c1cnc2cc[nH]c2c1.c1cnc2ccnn2c1.c1cnc2cn[nH]c2c1.c1cnc2cncn2c1.c1cnc2nccn2c1.c1cnc2sccc2c1.c1cnn2ccnc2c1.c1cnn2cncc2c1.
What is the InChIKey of 4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;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;pyrazolo[1,5-c]pyrimidine;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;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is MGJDXIKETYOHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.9C7H6N2.C7H5NO.2C7H5NS.21C6H5N3.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;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(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;1-3-7-5-9-6(1)2-4-8-9;1-3-7-6-2-4-8-9(6)5-1;1-2-9-5-8-4-6(9)3-7-1;1-2-7-4-9-5-8-3-6(1)9;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;1-2-8-9-4-3-7-5-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-8-6-4-7-5-9(6)3-1;1-2-6-4-7-5-9(6)8-3-1;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;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-2-8-6-4-7-3-5(1)6/h1-6,9H;3*1-5,9H;1-5H,(H,8,9);3*1-6H;1-4H,5H2;1-5H,(H,8,9);8*1-5H;1-3H,4H2;1-4H,(H,8,9);1-2,4H,3H2;1-4H,(H,8,9);6*1-5H;1-3H,4H2;1-4H,(H,8,9);1-3H,4H2;1-4H,(H,7,8,9);2*1-5H;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[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;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;pyrazolo[1,5-c]pyrimidine;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;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
4,6a-dihydro-3aH-thieno[2,3-c]pyrrole;1,2-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;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;pyrazolo[1,5-c]pyrimidine;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;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 4196.77 g/mol, XLogP of 44.03, 0 rotatable bonds, 10 hydrogen bond donors, and 80 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[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;3H-indazole;1H-indole;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;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;pyrazolo[1,5-c]pyrimidine;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;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 159559036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).