4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone

C56H50Cl2FN7O6 — CID 158056720

About 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone

4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone (PubChem CID 158056720) has the molecular formula C56H50Cl2FN7O6 and a molecular weight of 1006.96 g/mol. Its IUPAC name is 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone
• PubChem CID: 158056720
• Molecular Formula: C56H50Cl2FN7O6
• Molecular Weight: 1006.96 g/mol
• Exact Mass: 1005.32
• IUPAC Name: 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone
• SMILES: Cc1ccc(C2(O)CCN(C(=O)C3Cc4cc(Cl)cc(-c5ccnc6[nH]ccc56)c4O3)CC2)cc1.O=C(Nc1ccc(F)cc1)c1cc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2[nH]1
• InChI: InChI=1S/C28H24ClFN4O3.C28H26ClN3O3/c29-17-12-16-13-24(28(36)34-10-2-1-3-11-34)37-25(16)21(14-17)20-8-9-31-26-22(20)15-23(33-26)27(35)32-19-6-4-18(30)5-7-19;1-17-2-4-19(5-3-17)28(34)8-12-32(13-9-28)27(33)24-15-18-14-20(29)16-23(25(18)35-24)21-6-10-30-26-22(21)7-11-31-26/h4-9,12,14-15,24H,1-3,10-11,13H2,(H,31,33)(H,32,35);2-7,10-11,14,16,24,34H,8-9,12-13,15H2,1H3,(H,30,31)
• InChIKey: FKDJTCPTJSBMTG-UHFFFAOYSA-N
• XLogP: 10.60
• TPSA: 165.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1006.96
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone?

The IUPAC name of 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone (CID 158056720) is 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone.

What is the SMILES notation for 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone?

The canonical SMILES for 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone is Cc1ccc(C2(O)CCN(C(=O)C3Cc4cc(Cl)cc(-c5ccnc6[nH]ccc56)c4O3)CC2)cc1.O=C(Nc1ccc(F)cc1)c1cc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2[nH]1.

What is the InChIKey of 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone?

The InChIKey is FKDJTCPTJSBMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN4O3.C28H26ClN3O3/c29-17-12-16-13-24(28(36)34-10-2-1-3-11-34)37-25(16)21(14-17)20-8-9-31-26-22(20)15-23(33-26)27(35)32-19-6-4-18(30)5-7-19;1-17-2-4-19(5-3-17)28(34)8-12-32(13-9-28)27(33)24-15-18-14-20(29)16-23(25(18)35-24)21-6-10-30-26-22(21)7-11-31-26/h4-9,12,14-15,24H,1-3,10-11,13H2,(H,31,33)(H,32,35);2-7,10-11,14,16,24,34H,8-9,12-13,15H2,1H3,(H,30,31).

What are the key properties of 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone?

4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone has a molecular weight of 1006.96 g/mol, XLogP of 10.60, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 158056720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).