ethyl 2-[6-[4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate

C34H42Cl2FN5O3Si — CID 164945890

About ethyl 2-[6-[4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate

ethyl 2-[6-[4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate (PubChem CID 164945890) has the molecular formula C34H42Cl2FN5O3Si and a molecular weight of 686.73 g/mol. Its IUPAC name is ethyl 2-[6-[4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[6-[4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
• PubChem CID: 164945890
• Molecular Formula: C34H42Cl2FN5O3Si
• Molecular Weight: 686.73 g/mol
• Exact Mass: 685.24
• IUPAC Name: ethyl 2-[6-[4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
• SMILES: CCOC(=O)C(c1ncn2c1C[C@@H](F)C2)n1cc2c(Cl)cc(-c3ccc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)c(Cl)c2n1
• InChI: InChI=1S/C34H42Cl2FN5O3Si/c1-7-44-33(43)32(31-28-16-22(37)18-41(28)20-38-31)42-19-26-27(35)17-25(29(36)30(26)39-42)21-8-10-23(11-9-21)40-14-12-24(13-15-40)45-46(5,6)34(2,3)4/h8-11,17,19-20,22,24,32H,7,12-16,18H2,1-6H3/t22-,32?/m1/s1
• InChIKey: PRMNWFLHUVYESC-GFTAOQHMSA-N
• XLogP: 8.24
• TPSA: 74.41 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.73
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate?

The IUPAC name of ethyl 2-[6-[4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate (CID 164945890) is ethyl 2-[6-[4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate.

What is the SMILES notation for ethyl 2-[6-[4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate?

The canonical SMILES for ethyl 2-[6-[4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate is CCOC(=O)C(c1ncn2c1C[C@@H](F)C2)n1cc2c(Cl)cc(-c3ccc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)c(Cl)c2n1.

What is the InChIKey of ethyl 2-[6-[4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate?

The InChIKey is PRMNWFLHUVYESC-GFTAOQHMSA-N. The full InChI is InChI=1S/C34H42Cl2FN5O3Si/c1-7-44-33(43)32(31-28-16-22(37)18-41(28)20-38-31)42-19-26-27(35)17-25(29(36)30(26)39-42)21-8-10-23(11-9-21)40-14-12-24(13-15-40)45-46(5,6)34(2,3)4/h8-11,17,19-20,22,24,32H,7,12-16,18H2,1-6H3/t22-,32?/m1/s1.

What are the key properties of ethyl 2-[6-[4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate?

ethyl 2-[6-[4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate has a molecular weight of 686.73 g/mol, XLogP of 8.24, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[6-[4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate is sourced from PubChem (CID 164945890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).