5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanol;bis((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone);6-[2-(6-methoxy-3-pyridinyl)ethyl]pyridine-3-carbaldehyde

C84H72Cl4N16O8 — CID 160505308

About 5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanol;bis((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone);6-[2-(6-methoxy-3-pyridinyl)ethyl]pyridine-3-carbaldehyde

5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanol;bis((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone);6-[2-(6-methoxy-3-pyridinyl)ethyl]pyridine-3-carbaldehyde (PubChem CID 160505308) has the molecular formula C84H72Cl4N16O8 and a molecular weight of 1575.42 g/mol. Its IUPAC name is 5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanol;bis((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone);6-[2-(6-methoxy-3-pyridinyl)ethyl]pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanol;bis((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone);6-[2-(6-methoxy-3-pyridinyl)ethyl]pyridine-3-carbaldehyde
• PubChem CID: 160505308
• Molecular Formula: C84H72Cl4N16O8
• Molecular Weight: 1575.42 g/mol
• Exact Mass: 1572.45
• IUPAC Name: 5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanol;bis((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone);6-[2-(6-methoxy-3-pyridinyl)ethyl]pyridine-3-carbaldehyde
• SMILES: COc1ccc(CCc2ccc(C(=O)c3c[nH]c4ncc(Cl)cc34)cn2)cn1.COc1ccc(CCc2ccc(C(=O)c3c[nH]c4ncc(Cl)cc34)cn2)cn1.COc1ccc(CCc2ccc(C(O)c3c[nH]c4ncc(Cl)cc34)cn2)cn1.COc1ccc(CCc2ccc(C=O)cn2)cn1.Clc1cnc2[nH]ccc2c1
• InChI: InChI=1S/C21H19ClN4O2.2C21H17ClN4O2.C14H14N2O2.C7H5ClN2/c3*1-28-19-7-3-13(9-24-19)2-5-16-6-4-14(10-23-16)20(27)18-12-26-21-17(18)8-15(22)11-25-21;1-18-14-7-4-11(8-16-14)2-5-13-6-3-12(10-17)9-15-13;8-6-3-5-1-2-9-7(5)10-4-6/h3-4,6-12,20,27H,2,5H2,1H3,(H,25,26);2*3-4,6-12H,2,5H2,1H3,(H,25,26);3-4,6-10H,2,5H2,1H3;1-4H,(H,9,10)
• InChIKey: QSHZMDCYTFWLJS-UHFFFAOYSA-N
• XLogP: 16.24
• TPSA: 326.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1575.42
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanol;bis((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone);6-[2-(6-methoxy-3-pyridinyl)ethyl]pyridine-3-carbaldehyde?

The IUPAC name of 5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanol;bis((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone);6-[2-(6-methoxy-3-pyridinyl)ethyl]pyridine-3-carbaldehyde (CID 160505308) is 5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanol;bis((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone);6-[2-(6-methoxy-3-pyridinyl)ethyl]pyridine-3-carbaldehyde.

What is the SMILES notation for 5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanol;bis((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone);6-[2-(6-methoxy-3-pyridinyl)ethyl]pyridine-3-carbaldehyde?

The canonical SMILES for 5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanol;bis((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone);6-[2-(6-methoxy-3-pyridinyl)ethyl]pyridine-3-carbaldehyde is COc1ccc(CCc2ccc(C(=O)c3c[nH]c4ncc(Cl)cc34)cn2)cn1.COc1ccc(CCc2ccc(C(=O)c3c[nH]c4ncc(Cl)cc34)cn2)cn1.COc1ccc(CCc2ccc(C(O)c3c[nH]c4ncc(Cl)cc34)cn2)cn1.COc1ccc(CCc2ccc(C=O)cn2)cn1.Clc1cnc2[nH]ccc2c1.

What is the InChIKey of 5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanol;bis((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone);6-[2-(6-methoxy-3-pyridinyl)ethyl]pyridine-3-carbaldehyde?

The InChIKey is QSHZMDCYTFWLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2.2C21H17ClN4O2.C14H14N2O2.C7H5ClN2/c3*1-28-19-7-3-13(9-24-19)2-5-16-6-4-14(10-23-16)20(27)18-12-26-21-17(18)8-15(22)11-25-21;1-18-14-7-4-11(8-16-14)2-5-13-6-3-12(10-17)9-15-13;8-6-3-5-1-2-9-7(5)10-4-6/h3-4,6-12,20,27H,2,5H2,1H3,(H,25,26);2*3-4,6-12H,2,5H2,1H3,(H,25,26);3-4,6-10H,2,5H2,1H3;1-4H,(H,9,10).

What are the key properties of 5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanol;bis((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone);6-[2-(6-methoxy-3-pyridinyl)ethyl]pyridine-3-carbaldehyde?

5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanol;bis((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone);6-[2-(6-methoxy-3-pyridinyl)ethyl]pyridine-3-carbaldehyde has a molecular weight of 1575.42 g/mol, XLogP of 16.24, 23 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanol;bis((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone);6-[2-(6-methoxy-3-pyridinyl)ethyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 160505308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).