N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide

C27H36N4O5Si — CID 174055725

About N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide

N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 174055725) has the molecular formula C27H36N4O5Si and a molecular weight of 524.69 g/mol. Its IUPAC name is N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide
• PubChem CID: 174055725
• Molecular Formula: C27H36N4O5Si
• Molecular Weight: 524.69 g/mol
• Exact Mass: 524.25
• IUPAC Name: N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide
• SMILES: COc1nccc(OC2CC2)c1-c1cn(COCC[Si](C)(C)C)c2nc(NC(=O)C3CC3CO)ccc12
• InChI: InChI=1S/C27H36N4O5Si/c1-34-27-24(22(9-10-28-27)36-18-5-6-18)21-14-31(16-35-11-12-37(2,3)4)25-19(21)7-8-23(29-25)30-26(33)20-13-17(20)15-32/h7-10,14,17-18,20,32H,5-6,11-13,15-16H2,1-4H3,(H,29,30,33)
• InChIKey: WDHMUCARUFKEES-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 107.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.69
LogP ≤ 5	4.53
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-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide?

The IUPAC name of N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide (CID 174055725) is N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide is COc1nccc(OC2CC2)c1-c1cn(COCC[Si](C)(C)C)c2nc(NC(=O)C3CC3CO)ccc12.

What is the InChIKey of N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide?

The InChIKey is WDHMUCARUFKEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O5Si/c1-34-27-24(22(9-10-28-27)36-18-5-6-18)21-14-31(16-35-11-12-37(2,3)4)25-19(21)7-8-23(29-25)30-26(33)20-13-17(20)15-32/h7-10,14,17-18,20,32H,5-6,11-13,15-16H2,1-4H3,(H,29,30,33).

What are the key properties of N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide?

N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 524.69 g/mol, XLogP of 4.53, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 174055725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).