5-cyclobutyl-4-ethyl-7-[2-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine

C23H20F4N8 — CID 67499213

IUPAC5-cyclobutyl-4-ethyl-7-[2-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3-c3cc(F)cc(C(F)(F)F)c3)nc2N1C1CCC1
InChIInChI=1S/C23H20F4N8/c1-2-17-21-32-30-12-34(21)18-11-29-22(31-20(18)35(17)16-4-3-5-16)33-7-6-28-19(33)13-8-14(23(25,26)27)10-15(24)9-13/h6-12,16-17H,2-5H2,1H3
InChIKeyZHYDVVOBMDUEOW-UHFFFAOYSA-N
MW484.46 g/mol
LogP4.89
Rot. Bonds4

About 5-cyclobutyl-4-ethyl-7-[2-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine

5-cyclobutyl-4-ethyl-7-[2-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 67499213) has the molecular formula C23H20F4N8 and a molecular weight of 484.46 g/mol. Its IUPAC name is 5-cyclobutyl-4-ethyl-7-[2-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name5-cyclobutyl-4-ethyl-7-[2-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID67499213
Molecular FormulaC23H20F4N8
Molecular Weight484.46 g/mol
Exact Mass484.17
IUPAC Name5-cyclobutyl-4-ethyl-7-[2-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3-c3cc(F)cc(C(F)(F)F)c3)nc2N1C1CCC1
InChIInChI=1S/C23H20F4N8/c1-2-17-21-32-30-12-34(21)18-11-29-22(31-20(18)35(17)16-4-3-5-16)33-7-6-28-19(33)13-8-14(23(25,26)27)10-15(24)9-13/h6-12,16-17H,2-5H2,1H3
InChIKeyZHYDVVOBMDUEOW-UHFFFAOYSA-N
XLogP4.89
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-4-ethyl-7-[2-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 5-cyclobutyl-4-ethyl-7-[2-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 67499213) is 5-cyclobutyl-4-ethyl-7-[2-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 5-cyclobutyl-4-ethyl-7-[2-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 5-cyclobutyl-4-ethyl-7-[2-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nncn2-c2cnc(-n3ccnc3-c3cc(F)cc(C(F)(F)F)c3)nc2N1C1CCC1.
What is the InChIKey of 5-cyclobutyl-4-ethyl-7-[2-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is ZHYDVVOBMDUEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N8/c1-2-17-21-32-30-12-34(21)18-11-29-22(31-20(18)35(17)16-4-3-5-16)33-7-6-28-19(33)13-8-14(23(25,26)27)10-15(24)9-13/h6-12,16-17H,2-5H2,1H3.
What are the key properties of 5-cyclobutyl-4-ethyl-7-[2-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
5-cyclobutyl-4-ethyl-7-[2-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 484.46 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-4-ethyl-7-[2-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 67499213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).