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

C23H24N8 — CID 67499387

IUPAC(4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nncn2-c2cnc(-n3ccnc3-c3ccccc3)nc2N1C1CCCC1
InChIInChI=1S/C23H24N8/c1-2-18-22-28-26-15-30(22)19-14-25-23(27-21(19)31(18)17-10-6-7-11-17)29-13-12-24-20(29)16-8-4-3-5-9-16/h3-5,8-9,12-15,17-18H,2,6-7,10-11H2,1H3/t18-/m1/s1
InChIKeyCTZJAPLUOSEDPY-GOSISDBHSA-N
MW412.50 g/mol
LogP4.12
Rot. Bonds4

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

(4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 67499387) has the molecular formula C23H24N8 and a molecular weight of 412.50 g/mol. Its IUPAC name is (4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name(4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID67499387
Molecular FormulaC23H24N8
Molecular Weight412.50 g/mol
Exact Mass412.21
IUPAC Name(4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nncn2-c2cnc(-n3ccnc3-c3ccccc3)nc2N1C1CCCC1
InChIInChI=1S/C23H24N8/c1-2-18-22-28-26-15-30(22)19-14-25-23(27-21(19)31(18)17-10-6-7-11-17)29-13-12-24-20(29)16-8-4-3-5-9-16/h3-5,8-9,12-15,17-18H,2,6-7,10-11H2,1H3/t18-/m1/s1
InChIKeyCTZJAPLUOSEDPY-GOSISDBHSA-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

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of (4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 67499387) is (4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for (4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for (4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is CC[C@@H]1c2nncn2-c2cnc(-n3ccnc3-c3ccccc3)nc2N1C1CCCC1.
What is the InChIKey of (4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is CTZJAPLUOSEDPY-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N8/c1-2-18-22-28-26-15-30(22)19-14-25-23(27-21(19)31(18)17-10-6-7-11-17)29-13-12-24-20(29)16-8-4-3-5-9-16/h3-5,8-9,12-15,17-18H,2,6-7,10-11H2,1H3/t18-/m1/s1.
What are the key properties of (4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
(4R)-5-cyclopentyl-4-ethyl-7-(2-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-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 67499387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).