sodium;tert-butyl-[2-[1-(6-chloro-3-pyridinyl)piperidin-4-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;2-methylpropan-2-olate

C68H98ClF2N14NaO3Si2 — CID 159642448

About sodium;tert-butyl-[2-[1-(6-chloro-3-pyridinyl)piperidin-4-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;2-methylpropan-2-olate

sodium;tert-butyl-[2-[1-(6-chloro-3-pyridinyl)piperidin-4-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;2-methylpropan-2-olate (PubChem CID 159642448) has the molecular formula C68H98ClF2N14NaO3Si2 and a molecular weight of 1312.24 g/mol. Its IUPAC name is sodium;tert-butyl-[2-[1-(6-chloro-3-pyridinyl)piperidin-4-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;2-methylpropan-2-olate.

Molecular Properties

• Compound Name: sodium;tert-butyl-[2-[1-(6-chloro-3-pyridinyl)piperidin-4-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;2-methylpropan-2-olate
• PubChem CID: 159642448
• Molecular Formula: C68H98ClF2N14NaO3Si2
• Molecular Weight: 1312.24 g/mol
• Exact Mass: 1310.70
• IUPAC Name: sodium;tert-butyl-[2-[1-(6-chloro-3-pyridinyl)piperidin-4-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;2-methylpropan-2-olate
• SMILES: CC(C)(C)[O-].CC(C)(C)[Si](C)(C)OCCC1CCN(c2ccc(Cl)nc2)CC1.CC(C)(C)[Si](C)(C)OCCC1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1.Nc1ncc2c3ccnc(F)c3n(C3CCCC3)c2n1.[Na+]
• InChI: InChI=1S/C32H44FN7OSi.C18H31ClN2OSi.C14H14FN5.C4H9O.Na/c1-32(2,3)42(4,5)41-19-15-22-13-17-39(18-14-22)24-10-11-27(35-20-24)37-31-36-21-26-25-12-16-34-29(33)28(25)40(30(26)38-31)23-8-6-7-9-23;1-18(2,3)23(4,5)22-13-10-15-8-11-21(12-9-15)16-6-7-17(19)20-14-16;15-12-11-9(5-6-17-12)10-7-18-14(16)19-13(10)20(11)8-3-1-2-4-8;1-4(2,3)5;/h10-12,16,20-23H,6-9,13-15,17-19H2,1-5H3,(H,35,36,37,38);6-7,14-15H,8-13H2,1-5H3;5-8H,1-4H2,(H2,16,18,19);1-3H3;/q;;;-1;+1
• InChIKey: MQNJAMIRUNYUKF-UHFFFAOYSA-N
• XLogP: 13.33
• TPSA: 199.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1312.24
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl-[2-[1-(6-chloro-3-pyridinyl)piperidin-4-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;2-methylpropan-2-olate?

The IUPAC name of sodium;tert-butyl-[2-[1-(6-chloro-3-pyridinyl)piperidin-4-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;2-methylpropan-2-olate (CID 159642448) is sodium;tert-butyl-[2-[1-(6-chloro-3-pyridinyl)piperidin-4-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;2-methylpropan-2-olate.

What is the SMILES notation for sodium;tert-butyl-[2-[1-(6-chloro-3-pyridinyl)piperidin-4-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;2-methylpropan-2-olate?

The canonical SMILES for sodium;tert-butyl-[2-[1-(6-chloro-3-pyridinyl)piperidin-4-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;2-methylpropan-2-olate is CC(C)(C)[O-].CC(C)(C)[Si](C)(C)OCCC1CCN(c2ccc(Cl)nc2)CC1.CC(C)(C)[Si](C)(C)OCCC1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1.Nc1ncc2c3ccnc(F)c3n(C3CCCC3)c2n1.[Na+].

What is the InChIKey of sodium;tert-butyl-[2-[1-(6-chloro-3-pyridinyl)piperidin-4-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;2-methylpropan-2-olate?

The InChIKey is MQNJAMIRUNYUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44FN7OSi.C18H31ClN2OSi.C14H14FN5.C4H9O.Na/c1-32(2,3)42(4,5)41-19-15-22-13-17-39(18-14-22)24-10-11-27(35-20-24)37-31-36-21-26-25-12-16-34-29(33)28(25)40(30(26)38-31)23-8-6-7-9-23;1-18(2,3)23(4,5)22-13-10-15-8-11-21(12-9-15)16-6-7-17(19)20-14-16;15-12-11-9(5-6-17-12)10-7-18-14(16)19-13(10)20(11)8-3-1-2-4-8;1-4(2,3)5;/h10-12,16,20-23H,6-9,13-15,17-19H2,1-5H3,(H,35,36,37,38);6-7,14-15H,8-13H2,1-5H3;5-8H,1-4H2,(H2,16,18,19);1-3H3;/q;;;-1;+1.

What are the key properties of sodium;tert-butyl-[2-[1-(6-chloro-3-pyridinyl)piperidin-4-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;2-methylpropan-2-olate?

sodium;tert-butyl-[2-[1-(6-chloro-3-pyridinyl)piperidin-4-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;2-methylpropan-2-olate has a molecular weight of 1312.24 g/mol, XLogP of 13.33, 14 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl-[2-[1-(6-chloro-3-pyridinyl)piperidin-4-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;2-methylpropan-2-olate is sourced from PubChem (CID 159642448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).