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

C22H23N9 — CID 66979490

IUPAC5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3-c3cccnc3)nc2N1C1CCCC1
InChIInChI=1S/C22H23N9/c1-2-17-21-28-26-14-30(21)18-13-25-22(27-20(18)31(17)16-7-3-4-8-16)29-11-10-24-19(29)15-6-5-9-23-12-15/h5-6,9-14,16-17H,2-4,7-8H2,1H3
InChIKeyQIPFNPLHOYFAMX-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.52
Rot. Bonds4

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

5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 66979490) has the molecular formula C22H23N9 and a molecular weight of 413.49 g/mol. Its IUPAC name is 5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID66979490
Molecular FormulaC22H23N9
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3-c3cccnc3)nc2N1C1CCCC1
InChIInChI=1S/C22H23N9/c1-2-17-21-28-26-14-30(21)18-13-25-22(27-20(18)31(17)16-7-3-4-8-16)29-11-10-24-19(29)15-6-5-9-23-12-15/h5-6,9-14,16-17H,2-4,7-8H2,1H3
InChIKeyQIPFNPLHOYFAMX-UHFFFAOYSA-N
XLogP3.52
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 66979490) is 5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nncn2-c2cnc(-n3ccnc3-c3cccnc3)nc2N1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is QIPFNPLHOYFAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9/c1-2-17-21-28-26-14-30(21)18-13-25-22(27-20(18)31(17)16-7-3-4-8-16)29-11-10-24-19(29)15-6-5-9-23-12-15/h5-6,9-14,16-17H,2-4,7-8H2,1H3.
What are the key properties of 5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 413.49 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 66979490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).