[5-chloro-7-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone

C112H107Cl5N12O13S — CID 160662028

About [5-chloro-7-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone

[5-chloro-7-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone (PubChem CID 160662028) has the molecular formula C112H107Cl5N12O13S and a molecular weight of 2038.49 g/mol. Its IUPAC name is [5-chloro-7-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [5-chloro-7-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone
• PubChem CID: 160662028
• Molecular Formula: C112H107Cl5N12O13S
• Molecular Weight: 2038.49 g/mol
• Exact Mass: 2034.62
• IUPAC Name: [5-chloro-7-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone
• SMILES: COc1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2c1.COc1ccc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2c1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]c(CO)cc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4sccc34)c2O1)N1CCCCC1
• InChI: InChI=1S/2C24H23ClN2O3.C22H22ClN3O3.C21H20ClN3O2.C21H19ClN2O2S/c1-29-17-5-6-21-19(14-17)18(7-8-26-21)20-13-16(25)11-15-12-22(30-23(15)20)24(28)27-9-3-2-4-10-27;1-29-17-5-6-19-18(7-8-26-21(19)14-17)20-13-16(25)11-15-12-22(30-23(15)20)24(28)27-9-3-2-4-10-27;23-14-8-13-9-19(22(28)26-6-2-1-3-7-26)29-20(13)17(10-14)16-4-5-24-21-18(16)11-15(12-27)25-21;22-14-10-13-11-18(21(26)25-8-2-1-3-9-25)27-19(13)17(12-14)15-4-6-23-20-16(15)5-7-24-20;22-14-10-13-11-18(21(25)24-7-2-1-3-8-24)26-19(13)17(12-14)15-4-6-23-20-16(15)5-9-27-20/h2*5-8,11,13-14,22H,2-4,9-10,12H2,1H3;4-5,8,10-11,19,27H,1-3,6-7,9,12H2,(H,24,25);4-7,10,12,18H,1-3,8-9,11H2,(H,23,24);4-6,9-10,12,18H,1-3,7-8,11H2
• InChIKey: RLUKXRWQQPYAGR-UHFFFAOYSA-N
• XLogP: 22.58
• TPSA: 282.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2038.49
LogP ≤ 5	22.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of [5-chloro-7-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone?

The IUPAC name of [5-chloro-7-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone (CID 160662028) is [5-chloro-7-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone.

What is the SMILES notation for [5-chloro-7-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone?

The canonical SMILES for [5-chloro-7-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone is COc1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2c1.COc1ccc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2c1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]c(CO)cc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4sccc34)c2O1)N1CCCCC1.

What is the InChIKey of [5-chloro-7-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone?

The InChIKey is RLUKXRWQQPYAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H23ClN2O3.C22H22ClN3O3.C21H20ClN3O2.C21H19ClN2O2S/c1-29-17-5-6-21-19(14-17)18(7-8-26-21)20-13-16(25)11-15-12-22(30-23(15)20)24(28)27-9-3-2-4-10-27;1-29-17-5-6-19-18(7-8-26-21(19)14-17)20-13-16(25)11-15-12-22(30-23(15)20)24(28)27-9-3-2-4-10-27;23-14-8-13-9-19(22(28)26-6-2-1-3-7-26)29-20(13)17(10-14)16-4-5-24-21-18(16)11-15(12-27)25-21;22-14-10-13-11-18(21(26)25-8-2-1-3-9-25)27-19(13)17(12-14)15-4-6-23-20-16(15)5-7-24-20;22-14-10-13-11-18(21(25)24-7-2-1-3-8-24)26-19(13)17(12-14)15-4-6-23-20-16(15)5-9-27-20/h2*5-8,11,13-14,22H,2-4,9-10,12H2,1H3;4-5,8,10-11,19,27H,1-3,6-7,9,12H2,(H,24,25);4-7,10,12,18H,1-3,8-9,11H2,(H,23,24);4-6,9-10,12,18H,1-3,7-8,11H2.

What are the key properties of [5-chloro-7-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone?

[5-chloro-7-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone has a molecular weight of 2038.49 g/mol, XLogP of 22.58, 13 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [5-chloro-7-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 160662028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).