methyl 2-[[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamoyl]cyclopropane-1-carboxylate

C29H38N4O6Si — CID 174055588

About methyl 2-[[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamoyl]cyclopropane-1-carboxylate

methyl 2-[[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamoyl]cyclopropane-1-carboxylate (PubChem CID 174055588) has the molecular formula C29H38N4O6Si and a molecular weight of 566.73 g/mol. Its IUPAC name is methyl 2-[[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamoyl]cyclopropane-1-carboxylate
• PubChem CID: 174055588
• Molecular Formula: C29H38N4O6Si
• Molecular Weight: 566.73 g/mol
• Exact Mass: 566.26
• IUPAC Name: methyl 2-[[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamoyl]cyclopropane-1-carboxylate
• SMILES: COC(=O)C1CC1C(=O)Nc1ccc2c(-c3c(OC4CCC4)ccnc3OC)cn(COCC[Si](C)(C)C)c2n1
• InChI: InChI=1S/C29H38N4O6Si/c1-36-28-25(23(11-12-30-28)39-18-7-6-8-18)22-16-33(17-38-13-14-40(3,4)5)26-19(22)9-10-24(31-26)32-27(34)20-15-21(20)29(35)37-2/h9-12,16,18,20-21H,6-8,13-15,17H2,1-5H3,(H,31,32,34)
• InChIKey: GJUKPAPBNOISSH-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 113.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.73
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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 methyl 2-[[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamoyl]cyclopropane-1-carboxylate?

The IUPAC name of methyl 2-[[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamoyl]cyclopropane-1-carboxylate (CID 174055588) is methyl 2-[[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamoyl]cyclopropane-1-carboxylate.

What is the SMILES notation for methyl 2-[[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamoyl]cyclopropane-1-carboxylate?

The canonical SMILES for methyl 2-[[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamoyl]cyclopropane-1-carboxylate is COC(=O)C1CC1C(=O)Nc1ccc2c(-c3c(OC4CCC4)ccnc3OC)cn(COCC[Si](C)(C)C)c2n1.

What is the InChIKey of methyl 2-[[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamoyl]cyclopropane-1-carboxylate?

The InChIKey is GJUKPAPBNOISSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O6Si/c1-36-28-25(23(11-12-30-28)39-18-7-6-8-18)22-16-33(17-38-13-14-40(3,4)5)26-19(22)9-10-24(31-26)32-27(34)20-15-21(20)29(35)37-2/h9-12,16,18,20-21H,6-8,13-15,17H2,1-5H3,(H,31,32,34).

What are the key properties of methyl 2-[[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamoyl]cyclopropane-1-carboxylate?

methyl 2-[[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 566.73 g/mol, XLogP of 5.10, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 174055588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).