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

C31H43N5O5Si — CID 163251109

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

trans-(1R,2R)-2-[2-(azetidin-1-yl)ethoxy]-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide (PubChem CID 163251109) has the molecular formula C31H43N5O5Si and a molecular weight of 593.80 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-(azetidin-1-yl)ethoxy]-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2R)-2-[2-(azetidin-1-yl)ethoxy]-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
• PubChem CID: 163251109
• Molecular Formula: C31H43N5O5Si
• Molecular Weight: 593.80 g/mol
• Exact Mass: 593.30
• IUPAC Name: trans-(1R,2R)-2-[2-(azetidin-1-yl)ethoxy]-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
• SMILES: COc1nccc(OC2CC2)c1-c1cn(COCC[Si](C)(C)C)c2nc(NC(=O)[C@@H]3C[C@H]3OCCN3CCC3)ccc12
• InChI: InChI=1S/C31H43N5O5Si/c1-38-31-28(25(10-11-32-31)41-21-6-7-21)24-19-36(20-39-16-17-42(2,3)4)29-22(24)8-9-27(33-29)34-30(37)23-18-26(23)40-15-14-35-12-5-13-35/h8-11,19,21,23,26H,5-7,12-18,20H2,1-4H3,(H,33,34,37)/t23-,26-/m1/s1
• InChIKey: BPFLVXLYHVVHFF-ZEQKJWHPSA-N
• XLogP: 5.01
• TPSA: 99.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.80
LogP ≤ 5	5.01
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 trans-(1R,2R)-2-[2-(azetidin-1-yl)ethoxy]-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1R,2R)-2-[2-(azetidin-1-yl)ethoxy]-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide (CID 163251109) is trans-(1R,2R)-2-[2-(azetidin-1-yl)ethoxy]-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide.

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

The canonical SMILES for trans-(1R,2R)-2-[2-(azetidin-1-yl)ethoxy]-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide is COc1nccc(OC2CC2)c1-c1cn(COCC[Si](C)(C)C)c2nc(NC(=O)[C@@H]3C[C@H]3OCCN3CCC3)ccc12.

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

The InChIKey is BPFLVXLYHVVHFF-ZEQKJWHPSA-N. The full InChI is InChI=1S/C31H43N5O5Si/c1-38-31-28(25(10-11-32-31)41-21-6-7-21)24-19-36(20-39-16-17-42(2,3)4)29-22(24)8-9-27(33-29)34-30(37)23-18-26(23)40-15-14-35-12-5-13-35/h8-11,19,21,23,26H,5-7,12-18,20H2,1-4H3,(H,33,34,37)/t23-,26-/m1/s1.

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

trans-(1R,2R)-2-[2-(azetidin-1-yl)ethoxy]-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide has a molecular weight of 593.80 g/mol, XLogP of 5.01, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-2-[2-(azetidin-1-yl)ethoxy]-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 163251109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).