4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine

C22H23ClF3N7OSi — CID 170970814

IUPAC4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine
SMILESC[Si](C)(C)CCOCn1cnc2ncc(-c3nc(Cl)nc(Nc4cccc(C(F)(F)F)c4)n3)cc21
InChIInChI=1S/C22H23ClF3N7OSi/c1-35(2,3)8-7-34-13-33-12-28-19-17(33)9-14(11-27-19)18-30-20(23)32-21(31-18)29-16-6-4-5-15(10-16)22(24,25)26/h4-6,9-12H,7-8,13H2,1-3H3,(H,29,30,31,32)
InChIKeyHTJLZUZHTPHRON-UHFFFAOYSA-N
MW522.01 g/mol
LogP6.01
Rot. Bonds8

About 4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine

4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine (PubChem CID 170970814) has the molecular formula C22H23ClF3N7OSi and a molecular weight of 522.01 g/mol. Its IUPAC name is 4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine
PubChem CID170970814
Molecular FormulaC22H23ClF3N7OSi
Molecular Weight522.01 g/mol
Exact Mass521.14
IUPAC Name4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine
SMILESC[Si](C)(C)CCOCn1cnc2ncc(-c3nc(Cl)nc(Nc4cccc(C(F)(F)F)c4)n3)cc21
InChIInChI=1S/C22H23ClF3N7OSi/c1-35(2,3)8-7-34-13-33-12-28-19-17(33)9-14(11-27-19)18-30-20(23)32-21(31-18)29-16-6-4-5-15(10-16)22(24,25)26/h4-6,9-12H,7-8,13H2,1-3H3,(H,29,30,31,32)
InChIKeyHTJLZUZHTPHRON-UHFFFAOYSA-N
XLogP6.01
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.01
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

PF-4708671
CID 51371303
4-[2-(2,4-Difluorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 23727894
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}ethylamine
CID 24746214
2-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}ethanol
CID 24746215
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}propylamine
CID 24746217
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
3-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}propan-1-ol
CID 24746381
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methoxypropyl)amine
CID 24746385
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}pentylamine
CID 24746540
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}hexylamine
CID 24746542
4-(2-(4-Fluorophenyl)-7-{[(2-methoxyethyl)methylamino] methyl}imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamine
CID 24887881
4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-phenylpyrimidin-2-amine
CID 44431999

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine (CID 170970814) is 4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine is C[Si](C)(C)CCOCn1cnc2ncc(-c3nc(Cl)nc(Nc4cccc(C(F)(F)F)c4)n3)cc21.
What is the InChIKey of 4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine?
The InChIKey is HTJLZUZHTPHRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF3N7OSi/c1-35(2,3)8-7-34-13-33-12-28-19-17(33)9-14(11-27-19)18-30-20(23)32-21(31-18)29-16-6-4-5-15(10-16)22(24,25)26/h4-6,9-12H,7-8,13H2,1-3H3,(H,29,30,31,32).
What are the key properties of 4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine?
4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine has a molecular weight of 522.01 g/mol, XLogP of 6.01, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 170970814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).