N-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C36H35F5N4O2Si — CID 164567131

About N-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 164567131) has the molecular formula C36H35F5N4O2Si and a molecular weight of 678.78 g/mol. Its IUPAC name is N-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 164567131
• Molecular Formula: C36H35F5N4O2Si
• Molecular Weight: 678.78 g/mol
• Exact Mass: 678.24
• IUPAC Name: N-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: CC(C)(C)[Si](OCC1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(F)F)cc3n2)C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C36H35F5N4O2Si/c1-35(2,3)48(26-11-6-4-7-12-26,27-13-8-5-9-14-27)47-22-23-17-25(18-23)45-21-24-19-31(28(33(37)38)20-30(24)44-45)43-34(46)29-15-10-16-32(42-29)36(39,40)41/h4-16,19-21,23,25,33H,17-18,22H2,1-3H3,(H,43,46)
• InChIKey: UMOHSTRGMWJLFQ-UHFFFAOYSA-N
• XLogP: 8.17
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.78
LogP ≤ 5	8.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 164567131) is N-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(C)[Si](OCC1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(F)F)cc3n2)C1)(c1ccccc1)c1ccccc1.

What is the InChIKey of N-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is UMOHSTRGMWJLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35F5N4O2Si/c1-35(2,3)48(26-11-6-4-7-12-26,27-13-8-5-9-14-27)47-22-23-17-25(18-23)45-21-24-19-31(28(33(37)38)20-30(24)44-45)43-34(46)29-15-10-16-32(42-29)36(39,40)41/h4-16,19-21,23,25,33H,17-18,22H2,1-3H3,(H,43,46).

What are the key properties of N-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 678.78 g/mol, XLogP of 8.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164567131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).