(4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;bis([5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone);4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone

C149H142Cl6N18O14 — CID 160905464

About (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;bis([5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone);4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone

(4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;bis([5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone);4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone (PubChem CID 160905464) has the molecular formula C149H142Cl6N18O14 and a molecular weight of 2621.60 g/mol. Its IUPAC name is (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;bis([5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone);4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;bis([5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone);4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone
• PubChem CID: 160905464
• Molecular Formula: C149H142Cl6N18O14
• Molecular Weight: 2621.60 g/mol
• Exact Mass: 2616.91
• IUPAC Name: (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;bis([5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone);4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone
• SMILES: C=CCC1(C(=O)N2CCCCC2)Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1.CNC(=O)c1cc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2[nH]1.Cc1cc(-c2cc(Cl)cc3c2OC(C(=O)N2CCCCC2)C3)ccn1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]c(-c5ccccc5)cc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]c(-c5ccccc5)cc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(Cc2ccccc2)CC1
• InChI: InChI=1S/C28H26ClN3O3.2C27H24ClN3O2.C24H24ClN3O2.C23H23ClN4O3.C20H21ClN2O2/c29-20-14-19-15-24(35-25(19)23(16-20)21-6-10-30-26-22(21)7-11-31-26)27(33)32-12-8-28(34,9-13-32)17-18-4-2-1-3-5-18;2*28-19-13-18-14-24(27(32)31-11-5-2-6-12-31)33-25(18)21(15-19)20-9-10-29-26-22(20)16-23(30-26)17-7-3-1-4-8-17;1-2-8-24(23(29)28-11-4-3-5-12-28)15-16-13-17(25)14-20(21(16)30-24)18-6-9-26-22-19(18)7-10-27-22;1-25-22(29)18-12-17-15(5-6-26-21(17)27-18)16-11-14(24)9-13-10-19(31-20(13)16)23(30)28-7-3-2-4-8-28;1-13-9-14(5-6-22-13)17-12-16(21)10-15-11-18(25-19(15)17)20(24)23-7-3-2-4-8-23/h1-7,10-11,14,16,24,34H,8-9,12-13,15,17H2,(H,30,31);2*1,3-4,7-10,13,15-16,24H,2,5-6,11-12,14H2,(H,29,30);2,6-7,9-10,13-14H,1,3-5,8,11-12,15H2,(H,26,27);5-6,9,11-12,19H,2-4,7-8,10H2,1H3,(H,25,29)(H,26,27);5-6,9-10,12,18H,2-4,7-8,11H2,1H3
• InChIKey: SQBUYWSKJQODDG-UHFFFAOYSA-N
• XLogP: 29.25
• TPSA: 382.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2621.60
LogP ≤ 5	29.25
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;bis([5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone);4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone?

The IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;bis([5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone);4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone (CID 160905464) is (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;bis([5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone);4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;bis([5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone);4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone?

The canonical SMILES for (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;bis([5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone);4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone is C=CCC1(C(=O)N2CCCCC2)Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1.CNC(=O)c1cc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2[nH]1.Cc1cc(-c2cc(Cl)cc3c2OC(C(=O)N2CCCCC2)C3)ccn1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]c(-c5ccccc5)cc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]c(-c5ccccc5)cc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(Cc2ccccc2)CC1.

What is the InChIKey of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;bis([5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone);4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone?

The InChIKey is SQBUYWSKJQODDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O3.2C27H24ClN3O2.C24H24ClN3O2.C23H23ClN4O3.C20H21ClN2O2/c29-20-14-19-15-24(35-25(19)23(16-20)21-6-10-30-26-22(21)7-11-31-26)27(33)32-12-8-28(34,9-13-32)17-18-4-2-1-3-5-18;2*28-19-13-18-14-24(27(32)31-11-5-2-6-12-31)33-25(18)21(15-19)20-9-10-29-26-22(20)16-23(30-26)17-7-3-1-4-8-17;1-2-8-24(23(29)28-11-4-3-5-12-28)15-16-13-17(25)14-20(21(16)30-24)18-6-9-26-22-19(18)7-10-27-22;1-25-22(29)18-12-17-15(5-6-26-21(17)27-18)16-11-14(24)9-13-10-19(31-20(13)16)23(30)28-7-3-2-4-8-28;1-13-9-14(5-6-22-13)17-12-16(21)10-15-11-18(25-19(15)17)20(24)23-7-3-2-4-8-23/h1-7,10-11,14,16,24,34H,8-9,12-13,15,17H2,(H,30,31);2*1,3-4,7-10,13,15-16,24H,2,5-6,11-12,14H2,(H,29,30);2,6-7,9-10,13-14H,1,3-5,8,11-12,15H2,(H,26,27);5-6,9,11-12,19H,2-4,7-8,10H2,1H3,(H,25,29)(H,26,27);5-6,9-10,12,18H,2-4,7-8,11H2,1H3.

What are the key properties of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;bis([5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone);4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone?

(4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;bis([5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone);4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone has a molecular weight of 2621.60 g/mol, XLogP of 29.25, 19 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;bis([5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone);4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 160905464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).