2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

C48H73N9O2Si2 — CID 157256599

About 2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (PubChem CID 157256599) has the molecular formula C48H73N9O2Si2 and a molecular weight of 864.35 g/mol. Its IUPAC name is 2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 157256599
• Molecular Formula: C48H73N9O2Si2
• Molecular Weight: 864.35 g/mol
• Exact Mass: 863.54
• IUPAC Name: 2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
• SMILES: C[C@]12CCC[C@H]1CCN(c1ncnc3c1ccn3COCC[Si](C)(C)C)C2.C[C@]12CN(Cc3ccccc3)C[C@H]1CCN(c1ncnc3c1ccn3COCC[Si](C)(C)C)C2
• InChI: InChI=1S/C27H39N5OSi.C21H34N4OSi/c1-27-18-30(16-22-8-6-5-7-9-22)17-23(27)10-12-31(19-27)25-24-11-13-32(26(24)29-20-28-25)21-33-14-15-34(2,3)4;1-21-9-5-6-17(21)7-10-24(14-21)19-18-8-11-25(20(18)23-15-22-19)16-26-12-13-27(2,3)4/h5-9,11,13,20,23H,10,12,14-19,21H2,1-4H3;8,11,15,17H,5-7,9-10,12-14,16H2,1-4H3/t23-,27-;17-,21+/m10/s1
• InChIKey: AWYSEQKVNBEWBM-JSCRHUPNSA-N
• XLogP: 9.85
• TPSA: 89.60 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	864.35
LogP ≤ 5	9.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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 2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (CID 157256599) is 2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is C[C@]12CCC[C@H]1CCN(c1ncnc3c1ccn3COCC[Si](C)(C)C)C2.C[C@]12CN(Cc3ccccc3)C[C@H]1CCN(c1ncnc3c1ccn3COCC[Si](C)(C)C)C2.

What is the InChIKey of 2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is AWYSEQKVNBEWBM-JSCRHUPNSA-N. The full InChI is InChI=1S/C27H39N5OSi.C21H34N4OSi/c1-27-18-30(16-22-8-6-5-7-9-22)17-23(27)10-12-31(19-27)25-24-11-13-32(26(24)29-20-28-25)21-33-14-15-34(2,3)4;1-21-9-5-6-17(21)7-10-24(14-21)19-18-8-11-25(20(18)23-15-22-19)16-26-12-13-27(2,3)4/h5-9,11,13,20,23H,10,12,14-19,21H2,1-4H3;8,11,15,17H,5-7,9-10,12-14,16H2,1-4H3/t23-,27-;17-,21+/m10/s1.

What are the key properties of 2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?

2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 864.35 g/mol, XLogP of 9.85, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 157256599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).