cis-(1R,2R)-N-[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-formylcyclopropane-1-carboxamide

C28H36N4O5Si — CID 163251103

About cis-(1R,2R)-N-[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-formylcyclopropane-1-carboxamide

cis-(1R,2R)-N-[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-formylcyclopropane-1-carboxamide (PubChem CID 163251103) has the molecular formula C28H36N4O5Si and a molecular weight of 536.71 g/mol. Its IUPAC name is cis-(1R,2R)-N-[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-formylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2R)-N-[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-formylcyclopropane-1-carboxamide
• PubChem CID: 163251103
• Molecular Formula: C28H36N4O5Si
• Molecular Weight: 536.71 g/mol
• Exact Mass: 536.25
• IUPAC Name: cis-(1R,2R)-N-[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-formylcyclopropane-1-carboxamide
• SMILES: COc1nccc(OC2CCC2)c1-c1cn(COCC[Si](C)(C)C)c2nc(NC(=O)[C@@H]3C[C@H]3C=O)ccc12
• InChI: InChI=1S/C28H36N4O5Si/c1-35-28-25(23(10-11-29-28)37-19-6-5-7-19)22-15-32(17-36-12-13-38(2,3)4)26-20(22)8-9-24(30-26)31-27(34)21-14-18(21)16-33/h8-11,15-16,18-19,21H,5-7,12-14,17H2,1-4H3,(H,30,31,34)/t18-,21+/m0/s1
• InChIKey: PYWHRXAFSIAXMZ-GHTZIAJQSA-N
• XLogP: 5.12
• TPSA: 104.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.71
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-formylcyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2R)-N-[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-formylcyclopropane-1-carboxamide (CID 163251103) is cis-(1R,2R)-N-[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-formylcyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2R)-N-[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-formylcyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2R)-N-[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-formylcyclopropane-1-carboxamide is COc1nccc(OC2CCC2)c1-c1cn(COCC[Si](C)(C)C)c2nc(NC(=O)[C@@H]3C[C@H]3C=O)ccc12.

What is the InChIKey of cis-(1R,2R)-N-[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-formylcyclopropane-1-carboxamide?

The InChIKey is PYWHRXAFSIAXMZ-GHTZIAJQSA-N. The full InChI is InChI=1S/C28H36N4O5Si/c1-35-28-25(23(10-11-29-28)37-19-6-5-7-19)22-15-32(17-36-12-13-38(2,3)4)26-20(22)8-9-24(30-26)31-27(34)21-14-18(21)16-33/h8-11,15-16,18-19,21H,5-7,12-14,17H2,1-4H3,(H,30,31,34)/t18-,21+/m0/s1.

What are the key properties of cis-(1R,2R)-N-[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-formylcyclopropane-1-carboxamide?

cis-(1R,2R)-N-[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-formylcyclopropane-1-carboxamide has a molecular weight of 536.71 g/mol, XLogP of 5.12, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-N-[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-formylcyclopropane-1-carboxamide is sourced from PubChem (CID 163251103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).