[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-(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]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone

C144H137Cl6N19O16S — CID 158799445

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-(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]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone;(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-(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]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone (PubChem CID 158799445) has the molecular formula C144H137Cl6N19O16S and a molecular weight of 2634.58 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-(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]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone;(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-(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]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone
• PubChem CID: 158799445
• Molecular Formula: C144H137Cl6N19O16S
• Molecular Weight: 2634.58 g/mol
• Exact Mass: 2629.83
• 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-(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]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone;(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.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]c(CO)cc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(N2CCOCC2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(c2ccccn2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2ccccc2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4sccc34)c2O1)N1CCCCC1
• InChI: InChI=1S/C26H23ClN4O3.C26H23ClN4O2.C25H27ClN4O3.C24H23ClN2O3.C22H22ClN3O3.C21H19ClN2O2S/c27-17-13-16-14-21(25(32)31-11-6-26(33,7-12-31)22-3-1-2-8-28-22)34-23(16)20(15-17)18-4-9-29-24-19(18)5-10-30-24;27-18-14-17-15-23(26(32)31-12-10-30(11-13-31)19-4-2-1-3-5-19)33-24(17)22(16-18)20-6-8-28-25-21(20)7-9-29-25;26-17-13-16-14-22(25(31)30-7-3-18(4-8-30)29-9-11-32-12-10-29)33-23(16)21(15-17)19-1-5-27-24-20(19)2-6-28-24;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(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/h1-5,8-10,13,15,21,33H,6-7,11-12,14H2,(H,29,30);1-9,14,16,23H,10-13,15H2,(H,28,29);1-2,5-6,13,15,18,22H,3-4,7-12,14H2,(H,27,28);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);4-6,9-10,12,18H,1-3,7-8,11H2
• InChIKey: ITHHHPACUZXXQO-UHFFFAOYSA-N
• XLogP: 25.64
• TPSA: 396.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2634.58
LogP ≤ 5	25.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

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-(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]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone;(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-(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]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone (CID 158799445) 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-(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]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone;(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-(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]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone;(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-(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]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone;(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.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]c(CO)cc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(N2CCOCC2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(c2ccccn2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2ccccc2)CC1.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-(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]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone;(5-chloro-7-thieno[2,3-b]pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone?

The InChIKey is ITHHHPACUZXXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3.C26H23ClN4O2.C25H27ClN4O3.C24H23ClN2O3.C22H22ClN3O3.C21H19ClN2O2S/c27-17-13-16-14-21(25(32)31-11-6-26(33,7-12-31)22-3-1-2-8-28-22)34-23(16)20(15-17)18-4-9-29-24-19(18)5-10-30-24;27-18-14-17-15-23(26(32)31-12-10-30(11-13-31)19-4-2-1-3-5-19)33-24(17)22(16-18)20-6-8-28-25-21(20)7-9-29-25;26-17-13-16-14-22(25(31)30-7-3-18(4-8-30)29-9-11-32-12-10-29)33-23(16)21(15-17)19-1-5-27-24-20(19)2-6-28-24;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(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/h1-5,8-10,13,15,21,33H,6-7,11-12,14H2,(H,29,30);1-9,14,16,23H,10-13,15H2,(H,28,29);1-2,5-6,13,15,18,22H,3-4,7-12,14H2,(H,27,28);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);4-6,9-10,12,18H,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-(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]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone;(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-(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]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone;(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 2634.58 g/mol, XLogP of 25.64, 17 rotatable bonds, 6 hydrogen bond donors, and 26 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-(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]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone;(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 158799445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).