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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone

C133H128Cl5N17O11 — CID 158354626

About 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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone

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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone (PubChem CID 158354626) has the molecular formula C133H128Cl5N17O11 and a molecular weight of 2317.86 g/mol. Its IUPAC name is 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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: 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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone
• PubChem CID: 158354626
• Molecular Formula: C133H128Cl5N17O11
• Molecular Weight: 2317.86 g/mol
• Exact Mass: 2313.84
• IUPAC Name: 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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone
• 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.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)N1CCN(C2CCC(c3ccccc3)CC2)CC1
• InChI: InChI=1S/C32H33ClN4O2.2C27H24ClN3O2.C24H24ClN3O2.C23H23ClN4O3/c33-24-18-23-19-29(39-30(23)28(20-24)26-10-12-34-31-27(26)11-13-35-31)32(38)37-16-14-36(15-17-37)25-8-6-22(7-9-25)21-4-2-1-3-5-21;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/h1-5,10-13,18,20,22,25,29H,6-9,14-17,19H2,(H,34,35);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)
• InChIKey: GSSQQAMHJBFHEZ-UHFFFAOYSA-N
• XLogP: 26.49
• TPSA: 323.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2317.86
LogP ≤ 5	26.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone?

The IUPAC name of 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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone (CID 158354626) is 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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone.

What is the SMILES notation for 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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone?

The canonical SMILES for 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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone 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.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)N1CCN(C2CCC(c3ccccc3)CC2)CC1.

What is the InChIKey of 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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone?

The InChIKey is GSSQQAMHJBFHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN4O2.2C27H24ClN3O2.C24H24ClN3O2.C23H23ClN4O3/c33-24-18-23-19-29(39-30(23)28(20-24)26-10-12-34-31-27(26)11-13-35-31)32(38)37-16-14-36(15-17-37)25-8-6-22(7-9-25)21-4-2-1-3-5-21;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/h1-5,10-13,18,20,22,25,29H,6-9,14-17,19H2,(H,34,35);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).

What are the key properties of 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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone?

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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone has a molecular weight of 2317.86 g/mol, XLogP of 26.49, 17 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone is sourced from PubChem (CID 158354626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).