(2-chloro-4-pyridin-3-yloxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone

C25H25Cl2N3O3Si — CID 170669742

About (2-chloro-4-pyridin-3-yloxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone

(2-chloro-4-pyridin-3-yloxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone (PubChem CID 170669742) has the molecular formula C25H25Cl2N3O3Si and a molecular weight of 514.49 g/mol. Its IUPAC name is (2-chloro-4-pyridin-3-yloxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone.

Molecular Properties

• Compound Name: (2-chloro-4-pyridin-3-yloxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone
• PubChem CID: 170669742
• Molecular Formula: C25H25Cl2N3O3Si
• Molecular Weight: 514.49 g/mol
• Exact Mass: 513.10
• IUPAC Name: (2-chloro-4-pyridin-3-yloxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone
• SMILES: C[Si](C)(C)CCOCn1cc(C(=O)c2ccc(Oc3cccnc3)cc2Cl)c2c(Cl)ccnc21
• InChI: InChI=1S/C25H25Cl2N3O3Si/c1-34(2,3)12-11-32-16-30-15-20(23-21(26)8-10-29-25(23)30)24(31)19-7-6-17(13-22(19)27)33-18-5-4-9-28-14-18/h4-10,13-15H,11-12,16H2,1-3H3
• InChIKey: IRRCSUFPLJXEIS-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 66.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.49
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridin-3-yloxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone?

The IUPAC name of (2-chloro-4-pyridin-3-yloxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone (CID 170669742) is (2-chloro-4-pyridin-3-yloxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone.

What is the SMILES notation for (2-chloro-4-pyridin-3-yloxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone?

The canonical SMILES for (2-chloro-4-pyridin-3-yloxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone is C[Si](C)(C)CCOCn1cc(C(=O)c2ccc(Oc3cccnc3)cc2Cl)c2c(Cl)ccnc21.

What is the InChIKey of (2-chloro-4-pyridin-3-yloxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone?

The InChIKey is IRRCSUFPLJXEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O3Si/c1-34(2,3)12-11-32-16-30-15-20(23-21(26)8-10-29-25(23)30)24(31)19-7-6-17(13-22(19)27)33-18-5-4-9-28-14-18/h4-10,13-15H,11-12,16H2,1-3H3.

What are the key properties of (2-chloro-4-pyridin-3-yloxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone?

(2-chloro-4-pyridin-3-yloxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone has a molecular weight of 514.49 g/mol, XLogP of 7.07, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chloro-4-pyridin-3-yloxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone is sourced from PubChem (CID 170669742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).