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

C22H20F2N8 — CID 66979640

IUPAC5-cyclobutyl-7-[2-(2,4-difluorophenyl)imidazol-1-yl]-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3-c3ccc(F)cc3F)nc2N1C1CCC1
InChIInChI=1S/C22H20F2N8/c1-2-17-21-29-27-12-31(21)18-11-26-22(28-20(18)32(17)14-4-3-5-14)30-9-8-25-19(30)15-7-6-13(23)10-16(15)24/h6-12,14,17H,2-5H2,1H3
InChIKeyMINMNBHUXVGZRZ-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.01
Rot. Bonds4

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

5-cyclobutyl-7-[2-(2,4-difluorophenyl)imidazol-1-yl]-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 66979640) has the molecular formula C22H20F2N8 and a molecular weight of 434.45 g/mol. Its IUPAC name is 5-cyclobutyl-7-[2-(2,4-difluorophenyl)imidazol-1-yl]-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name5-cyclobutyl-7-[2-(2,4-difluorophenyl)imidazol-1-yl]-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID66979640
Molecular FormulaC22H20F2N8
Molecular Weight434.45 g/mol
Exact Mass434.18
IUPAC Name5-cyclobutyl-7-[2-(2,4-difluorophenyl)imidazol-1-yl]-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3-c3ccc(F)cc3F)nc2N1C1CCC1
InChIInChI=1S/C22H20F2N8/c1-2-17-21-29-27-12-31(21)18-11-26-22(28-20(18)32(17)14-4-3-5-14)30-9-8-25-19(30)15-7-6-13(23)10-16(15)24/h6-12,14,17H,2-5H2,1H3
InChIKeyMINMNBHUXVGZRZ-UHFFFAOYSA-N
XLogP4.01
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-7-[2-(2,4-difluorophenyl)imidazol-1-yl]-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 5-cyclobutyl-7-[2-(2,4-difluorophenyl)imidazol-1-yl]-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 66979640) is 5-cyclobutyl-7-[2-(2,4-difluorophenyl)imidazol-1-yl]-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 5-cyclobutyl-7-[2-(2,4-difluorophenyl)imidazol-1-yl]-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 5-cyclobutyl-7-[2-(2,4-difluorophenyl)imidazol-1-yl]-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nncn2-c2cnc(-n3ccnc3-c3ccc(F)cc3F)nc2N1C1CCC1.
What is the InChIKey of 5-cyclobutyl-7-[2-(2,4-difluorophenyl)imidazol-1-yl]-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is MINMNBHUXVGZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N8/c1-2-17-21-29-27-12-31(21)18-11-26-22(28-20(18)32(17)14-4-3-5-14)30-9-8-25-19(30)15-7-6-13(23)10-16(15)24/h6-12,14,17H,2-5H2,1H3.
What are the key properties of 5-cyclobutyl-7-[2-(2,4-difluorophenyl)imidazol-1-yl]-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine?
5-cyclobutyl-7-[2-(2,4-difluorophenyl)imidazol-1-yl]-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 434.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-7-[2-(2,4-difluorophenyl)imidazol-1-yl]-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 66979640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).