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

C23H24N8 — CID 66979426

IUPAC(4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nncn2-c2cnc(-n3cnc(-c4ccccc4)c3)nc2N1C1CCCC1
InChIInChI=1S/C23H24N8/c1-2-19-22-28-26-15-30(22)20-12-24-23(27-21(20)31(19)17-10-6-7-11-17)29-13-18(25-14-29)16-8-4-3-5-9-16/h3-5,8-9,12-15,17,19H,2,6-7,10-11H2,1H3/t19-/m1/s1
InChIKeyRADFTVJIAJZXHX-LJQANCHMSA-N
MW412.50 g/mol
LogP4.12
Rot. Bonds4

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

(4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 66979426) has the molecular formula C23H24N8 and a molecular weight of 412.50 g/mol. Its IUPAC name is (4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name(4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID66979426
Molecular FormulaC23H24N8
Molecular Weight412.50 g/mol
Exact Mass412.21
IUPAC Name(4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nncn2-c2cnc(-n3cnc(-c4ccccc4)c3)nc2N1C1CCCC1
InChIInChI=1S/C23H24N8/c1-2-19-22-28-26-15-30(22)20-12-24-23(27-21(20)31(19)17-10-6-7-11-17)29-13-18(25-14-29)16-8-4-3-5-9-16/h3-5,8-9,12-15,17,19H,2,6-7,10-11H2,1H3/t19-/m1/s1
InChIKeyRADFTVJIAJZXHX-LJQANCHMSA-N
XLogP4.12
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine with MolForge

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Related Compounds

(4R)-5-cyclopentyl-4-ethyl-7-(4-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979263
4-[1-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-4-yl]-1,3-thiazole
CID 67499656
(4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499387
(4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979801
5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979490
(4R)-5-cyclopentyl-4-ethyl-7-(2-pyridin-4-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979410
5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 158045627
(4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979507
5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499430
5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 141194019
5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 123214877
N,5-dicyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 66672557

Frequently Asked Questions

What is the IUPAC name of (4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of (4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 66979426) is (4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for (4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for (4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is CC[C@@H]1c2nncn2-c2cnc(-n3cnc(-c4ccccc4)c3)nc2N1C1CCCC1.
What is the InChIKey of (4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is RADFTVJIAJZXHX-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N8/c1-2-19-22-28-26-15-30(22)20-12-24-23(27-21(20)31(19)17-10-6-7-11-17)29-13-18(25-14-29)16-8-4-3-5-9-16/h3-5,8-9,12-15,17,19H,2,6-7,10-11H2,1H3/t19-/m1/s1.
What are the key properties of (4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
(4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 412.50 g/mol, XLogP of 4.12, 4 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-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 66979426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).