[1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyridine;1,3-benzoxazole;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;pyridazine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine

C185H125N33O14S9 — CID 157340709

About [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyridine;1,3-benzoxazole;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;pyridazine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine

[1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyridine;1,3-benzoxazole;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;pyridazine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine (PubChem CID 157340709) has the molecular formula C185H125N33O14S9 and a molecular weight of 3322.85 g/mol. Its IUPAC name is [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyridine;1,3-benzoxazole;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;pyridazine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyridine;1,3-benzoxazole;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;pyridazine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine
• PubChem CID: 157340709
• Molecular Formula: C185H125N33O14S9
• Molecular Weight: 3322.85 g/mol
• Exact Mass: 3319.76
• IUPAC Name: [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyridine;1,3-benzoxazole;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;pyridazine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine
• SMILES: c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2occc2cn1.c1cc2sccc2cn1.c1ccc2c(c1)oc1cccnc12.c1ccc2c(c1)oc1ccncc12.c1ccc2c(c1)oc1cnccc12.c1ccc2c(c1)oc1ncccc12.c1ccc2c(c1)oc1nccnc12.c1ccc2c(c1)oc1ncncc12.c1ccc2c(c1)sc1ncccc12.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccnnc1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2occc2c1.c1cnc2occc2n1.c1cnc2sccc2c1.c1cnc2sccc2n1.c1ncc2ccoc2n1.c1ncc2ccsc2n1.c1ncc2occc2n1.c1ncc2sccc2n1
• InChI: InChI=1S/4C11H7NO.C11H7NS.2C10H6N2O.5C7H5NO.5C7H5NS.3C6H4N2O.3C6H4N2S.C4H4N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9;1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-4-9-6-5(1)7-2-3-8-6;1-2-9-6-3-7-4-8-5(1)6;1-2-9-6-5(1)3-7-4-8-6;1-4-9-6-5(1)7-2-3-8-6;1-2-9-6-3-7-4-8-5(1)6;1-2-9-6-5(1)3-7-4-8-6;1-2-4-6-5-3-1/h5*1-7H;2*1-6H;10*1-5H;6*1-4H;1-4H
• InChIKey: BGIZFOYUTGGNMH-UHFFFAOYSA-N
• XLogP: 49.96
• TPSA: 609.33 Ų
• H-Bond Acceptors: 56
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3322.85
LogP ≤ 5	49.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyridine;1,3-benzoxazole;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;pyridazine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine?

The IUPAC name of [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyridine;1,3-benzoxazole;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;pyridazine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine (CID 157340709) is [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyridine;1,3-benzoxazole;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;pyridazine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine.

What is the SMILES notation for [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyridine;1,3-benzoxazole;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;pyridazine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine?

The canonical SMILES for [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyridine;1,3-benzoxazole;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;pyridazine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine is c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2occc2cn1.c1cc2sccc2cn1.c1ccc2c(c1)oc1cccnc12.c1ccc2c(c1)oc1ccncc12.c1ccc2c(c1)oc1cnccc12.c1ccc2c(c1)oc1ncccc12.c1ccc2c(c1)oc1nccnc12.c1ccc2c(c1)oc1ncncc12.c1ccc2c(c1)sc1ncccc12.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccnnc1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2occc2c1.c1cnc2occc2n1.c1cnc2sccc2c1.c1cnc2sccc2n1.c1ncc2ccoc2n1.c1ncc2ccsc2n1.c1ncc2occc2n1.c1ncc2sccc2n1.

What is the InChIKey of [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyridine;1,3-benzoxazole;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;pyridazine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine?

The InChIKey is BGIZFOYUTGGNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H7NO.C11H7NS.2C10H6N2O.5C7H5NO.5C7H5NS.3C6H4N2O.3C6H4N2S.C4H4N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9;1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-4-9-6-5(1)7-2-3-8-6;1-2-9-6-3-7-4-8-5(1)6;1-2-9-6-5(1)3-7-4-8-6;1-4-9-6-5(1)7-2-3-8-6;1-2-9-6-3-7-4-8-5(1)6;1-2-9-6-5(1)3-7-4-8-6;1-2-4-6-5-3-1/h5*1-7H;2*1-6H;10*1-5H;6*1-4H;1-4H.

What are the key properties of [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyridine;1,3-benzoxazole;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;pyridazine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine?

[1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyridine;1,3-benzoxazole;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;pyridazine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine has a molecular weight of 3322.85 g/mol, XLogP of 49.96, 0 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyridine;1,3-benzoxazole;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;pyridazine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine is sourced from PubChem (CID 157340709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).