(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine

C19H21F3N8 — CID 67499620

IUPAC(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nnc(C)n2-c2cnc(-n3ccnc3C(F)(F)F)nc2N1C1CCCC1
InChIInChI=1S/C19H21F3N8/c1-3-13-16-27-26-11(2)29(16)14-10-24-18(28-9-8-23-17(28)19(20,21)22)25-15(14)30(13)12-6-4-5-7-12/h8-10,12-13H,3-7H2,1-2H3/t13-/m1/s1
InChIKeyWOZUTJFLENBVRC-CYBMUJFWSA-N
MW418.43 g/mol
LogP3.78
Rot. Bonds3

About (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine

(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 67499620) has the molecular formula C19H21F3N8 and a molecular weight of 418.43 g/mol. Its IUPAC name is (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID67499620
Molecular FormulaC19H21F3N8
Molecular Weight418.43 g/mol
Exact Mass418.18
IUPAC Name(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nnc(C)n2-c2cnc(-n3ccnc3C(F)(F)F)nc2N1C1CCCC1
InChIInChI=1S/C19H21F3N8/c1-3-13-16-27-26-11(2)29(16)14-10-24-18(28-9-8-23-17(28)19(20,21)22)25-15(14)30(13)12-6-4-5-7-12/h8-10,12-13H,3-7H2,1-2H3/t13-/m1/s1
InChIKeyWOZUTJFLENBVRC-CYBMUJFWSA-N
XLogP3.78
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4R)-5-cyclopentyl-7-(2-cyclopropylimidazol-1-yl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 56959270
5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979458
5-cyclopentyl-4-ethyl-1-methyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67498738
(4R)-5-cyclobutyl-4-ethyl-1-methyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979430
4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole
CID 66979882
(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499836
(4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979564
5-cyclobutyl-4-ethyl-1-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979451
(4R)-4-ethyl-7-imidazol-1-yl-1-methyl-5-(oxan-4-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 56959268
(4R)-5-cyclopentyl-4-ethyl-7-(2-pyridin-4-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979410
(4R)-5-cyclobutyl-4-ethyl-7-[2-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499208
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

Frequently Asked Questions

What is the IUPAC name of (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 67499620) is (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine is CC[C@@H]1c2nnc(C)n2-c2cnc(-n3ccnc3C(F)(F)F)nc2N1C1CCCC1.
What is the InChIKey of (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is WOZUTJFLENBVRC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21F3N8/c1-3-13-16-27-26-11(2)29(16)14-10-24-18(28-9-8-23-17(28)19(20,21)22)25-15(14)30(13)12-6-4-5-7-12/h8-10,12-13H,3-7H2,1-2H3/t13-/m1/s1.
What are the key properties of (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 418.43 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 67499620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).