N-[3-(2-cyclopropyloxy-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide

C26H31F2N3O3Si — CID 170688462

About N-[3-(2-cyclopropyloxy-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide

N-[3-(2-cyclopropyloxy-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 170688462) has the molecular formula C26H31F2N3O3Si and a molecular weight of 499.63 g/mol. Its IUPAC name is N-[3-(2-cyclopropyloxy-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-(2-cyclopropyloxy-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 170688462
• Molecular Formula: C26H31F2N3O3Si
• Molecular Weight: 499.63 g/mol
• Exact Mass: 499.21
• IUPAC Name: N-[3-(2-cyclopropyloxy-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: C[Si](C)(C)CCOCn1cc(-c2c(F)cccc2OC2CC2)c2ccc(NC(=O)C3CC3F)nc21
• InChI: InChI=1S/C26H31F2N3O3Si/c1-35(2,3)12-11-33-15-31-14-19(24-20(27)5-4-6-22(24)34-16-7-8-16)17-9-10-23(29-25(17)31)30-26(32)18-13-21(18)28/h4-6,9-10,14,16,18,21H,7-8,11-13,15H2,1-3H3,(H,29,30,32)
• InChIKey: LUWHCHMNIYTALY-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.63
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 N-[3-(2-cyclopropyloxy-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of N-[3-(2-cyclopropyloxy-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide (CID 170688462) is N-[3-(2-cyclopropyloxy-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for N-[3-(2-cyclopropyloxy-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for N-[3-(2-cyclopropyloxy-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide is C[Si](C)(C)CCOCn1cc(-c2c(F)cccc2OC2CC2)c2ccc(NC(=O)C3CC3F)nc21.

What is the InChIKey of N-[3-(2-cyclopropyloxy-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is LUWHCHMNIYTALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N3O3Si/c1-35(2,3)12-11-33-15-31-14-19(24-20(27)5-4-6-22(24)34-16-7-8-16)17-9-10-23(29-25(17)31)30-26(32)18-13-21(18)28/h4-6,9-10,14,16,18,21H,7-8,11-13,15H2,1-3H3,(H,29,30,32).

What are the key properties of N-[3-(2-cyclopropyloxy-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide?

N-[3-(2-cyclopropyloxy-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 499.63 g/mol, XLogP of 5.99, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-cyclopropyloxy-6-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 170688462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).