N-[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine

C29H30F3N3O2Si — CID 87717947

About N-[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine

N-[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine (PubChem CID 87717947) has the molecular formula C29H30F3N3O2Si and a molecular weight of 537.66 g/mol. Its IUPAC name is N-[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine.

Molecular Properties

• Compound Name: N-[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine
• PubChem CID: 87717947
• Molecular Formula: C29H30F3N3O2Si
• Molecular Weight: 537.66 g/mol
• Exact Mass: 537.21
• IUPAC Name: N-[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine
• SMILES: CC(C)(C)[Si](C)(C)ON=C1CCc2cc(Nc3c(-c4ccccc4C(F)(F)F)oc4cnccc34)ccc21
• InChI: InChI=1S/C29H30F3N3O2Si/c1-28(2,3)38(4,5)37-35-24-13-10-18-16-19(11-12-20(18)24)34-26-22-14-15-33-17-25(22)36-27(26)21-8-6-7-9-23(21)29(30,31)32/h6-9,11-12,14-17,34H,10,13H2,1-5H3
• InChIKey: LUBGGKZNUQZCEE-UHFFFAOYSA-N
• XLogP: 8.93
• TPSA: 59.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.66
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine?

The IUPAC name of N-[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine (CID 87717947) is N-[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine.

What is the SMILES notation for N-[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine?

The canonical SMILES for N-[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine is CC(C)(C)[Si](C)(C)ON=C1CCc2cc(Nc3c(-c4ccccc4C(F)(F)F)oc4cnccc34)ccc21.

What is the InChIKey of N-[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine?

The InChIKey is LUBGGKZNUQZCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N3O2Si/c1-28(2,3)38(4,5)37-35-24-13-10-18-16-19(11-12-20(18)24)34-26-22-14-15-33-17-25(22)36-27(26)21-8-6-7-9-23(21)29(30,31)32/h6-9,11-12,14-17,34H,10,13H2,1-5H3.

What are the key properties of N-[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine?

N-[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine has a molecular weight of 537.66 g/mol, XLogP of 8.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-[2-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-3-amine is sourced from PubChem (CID 87717947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).