6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide

C22H24FN5O2Si — CID 140838249

IUPAC6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide
SMILESC[Si](C)(C)CCOCn1c2ccncc2c2ccc(NC(=O)c3ccc(F)nc3)nc21
InChIInChI=1S/C22H24FN5O2Si/c1-31(2,3)11-10-30-14-28-18-8-9-24-13-17(18)16-5-7-20(26-21(16)28)27-22(29)15-4-6-19(23)25-12-15/h4-9,12-13H,10-11,14H2,1-3H3,(H,26,27,29)
InChIKeyIYXIRZPWMNSEAN-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.68
Rot. Bonds7

About 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide

6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide (PubChem CID 140838249) has the molecular formula C22H24FN5O2Si and a molecular weight of 437.55 g/mol. Its IUPAC name is 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide
PubChem CID140838249
Molecular FormulaC22H24FN5O2Si
Molecular Weight437.55 g/mol
Exact Mass437.17
IUPAC Name6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide
SMILESC[Si](C)(C)CCOCn1c2ccncc2c2ccc(NC(=O)c3ccc(F)nc3)nc21
InChIInChI=1S/C22H24FN5O2Si/c1-31(2,3)11-10-30-14-28-18-8-9-24-13-17(18)16-5-7-20(26-21(16)28)27-22(29)15-4-6-19(23)25-12-15/h4-9,12-13H,10-11,14H2,1-3H3,(H,26,27,29)
InChIKeyIYXIRZPWMNSEAN-UHFFFAOYSA-N
XLogP4.68
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide (CID 140838249) is 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide is C[Si](C)(C)CCOCn1c2ccncc2c2ccc(NC(=O)c3ccc(F)nc3)nc21.
What is the InChIKey of 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide?
The InChIKey is IYXIRZPWMNSEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2Si/c1-31(2,3)11-10-30-14-28-18-8-9-24-13-17(18)16-5-7-20(26-21(16)28)27-22(29)15-4-6-19(23)25-12-15/h4-9,12-13H,10-11,14H2,1-3H3,(H,26,27,29).
What are the key properties of 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide?
6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide has a molecular weight of 437.55 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-3-carboxamide is sourced from PubChem (CID 140838249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).