N-[4-[7-(1-hydroxypropyl)-3-(6-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C29H37N5O4Si — CID 140726708

About N-[4-[7-(1-hydroxypropyl)-3-(6-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[7-(1-hydroxypropyl)-3-(6-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 140726708) has the molecular formula C29H37N5O4Si and a molecular weight of 547.73 g/mol. Its IUPAC name is N-[4-[7-(1-hydroxypropyl)-3-(6-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[7-(1-hydroxypropyl)-3-(6-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 140726708
• Molecular Formula: C29H37N5O4Si
• Molecular Weight: 547.73 g/mol
• Exact Mass: 547.26
• IUPAC Name: N-[4-[7-(1-hydroxypropyl)-3-(6-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• SMILES: CCC(O)c1ccnc2c(-c3ccc(OC)nc3)c(-c3ccnc(NC(C)=O)c3)n(COCC[Si](C)(C)C)c12
• InChI: InChI=1S/C29H37N5O4Si/c1-7-23(36)22-11-13-31-27-26(21-8-9-25(37-3)32-17-21)28(20-10-12-30-24(16-20)33-19(2)35)34(29(22)27)18-38-14-15-39(4,5)6/h8-13,16-17,23,36H,7,14-15,18H2,1-6H3,(H,30,33,35)
• InChIKey: RNVLCGZQXKKWAS-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 111.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.73
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-[4-[7-(1-hydroxypropyl)-3-(6-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[7-(1-hydroxypropyl)-3-(6-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 140726708) is N-[4-[7-(1-hydroxypropyl)-3-(6-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[7-(1-hydroxypropyl)-3-(6-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[7-(1-hydroxypropyl)-3-(6-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is CCC(O)c1ccnc2c(-c3ccc(OC)nc3)c(-c3ccnc(NC(C)=O)c3)n(COCC[Si](C)(C)C)c12.

What is the InChIKey of N-[4-[7-(1-hydroxypropyl)-3-(6-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The InChIKey is RNVLCGZQXKKWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O4Si/c1-7-23(36)22-11-13-31-27-26(21-8-9-25(37-3)32-17-21)28(20-10-12-30-24(16-20)33-19(2)35)34(29(22)27)18-38-14-15-39(4,5)6/h8-13,16-17,23,36H,7,14-15,18H2,1-6H3,(H,30,33,35).

What are the key properties of N-[4-[7-(1-hydroxypropyl)-3-(6-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

N-[4-[7-(1-hydroxypropyl)-3-(6-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 547.73 g/mol, XLogP of 5.88, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[7-(1-hydroxypropyl)-3-(6-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 140726708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).