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

C36H35F5N4O2Si — CID 164567131

IUPACN-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(C)[Si](OCC1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(F)F)cc3n2)C1)(c1ccccc1)c1ccccc1
InChIInChI=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)
InChIKeyUMOHSTRGMWJLFQ-UHFFFAOYSA-N
MW678.78 g/mol
LogP8.17
Rot. Bonds9

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 NameN-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID164567131
Molecular FormulaC36H35F5N4O2Si
Molecular Weight678.78 g/mol
Exact Mass678.24
IUPAC NameN-[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-6-(difluoromethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(C)[Si](OCC1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(F)F)cc3n2)C1)(c1ccccc1)c1ccccc1
InChIInChI=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)
InChIKeyUMOHSTRGMWJLFQ-UHFFFAOYSA-N
XLogP8.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.78
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).