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

C21H27N9 — CID 67499398

IUPAC5-cyclopentyl-4-ethyl-7-(2-pyrrolidin-1-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3N3CCCC3)nc2N1C1CCCC1
InChIInChI=1S/C21H27N9/c1-2-16-19-26-24-14-29(19)17-13-23-20(25-18(17)30(16)15-7-3-4-8-15)28-12-9-22-21(28)27-10-5-6-11-27/h9,12-16H,2-8,10-11H2,1H3
InChIKeyZZKITOBRIIWZLV-UHFFFAOYSA-N
MW405.51 g/mol
LogP3.06
Rot. Bonds4

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

5-cyclopentyl-4-ethyl-7-(2-pyrrolidin-1-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 67499398) has the molecular formula C21H27N9 and a molecular weight of 405.51 g/mol. Its IUPAC name is 5-cyclopentyl-4-ethyl-7-(2-pyrrolidin-1-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name5-cyclopentyl-4-ethyl-7-(2-pyrrolidin-1-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID67499398
Molecular FormulaC21H27N9
Molecular Weight405.51 g/mol
Exact Mass405.24
IUPAC Name5-cyclopentyl-4-ethyl-7-(2-pyrrolidin-1-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-n3ccnc3N3CCCC3)nc2N1C1CCCC1
InChIInChI=1S/C21H27N9/c1-2-16-19-26-24-14-29(19)17-13-23-20(25-18(17)30(16)15-7-3-4-8-15)28-12-9-22-21(28)27-10-5-6-11-27/h9,12-16H,2-8,10-11H2,1H3
InChIKeyZZKITOBRIIWZLV-UHFFFAOYSA-N
XLogP3.06
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-cyclopentyl-4-ethyl-7-(2-pyrrolidin-1-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

Related Compounds

(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-(2-pyridin-4-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979410
5-cyclobutyl-4-ethyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979593
(4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67498562
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-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979801
5-cyclobutyl-7-[2-(2,4-difluorophenyl)imidazol-1-yl]-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979640
(4R)-5-cyclobutyl-4-ethyl-7-[2-(2-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 56958990
(4R)-7-chloro-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine;(4R)-5-cyclopentyl-4-ethyl-7-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine;1-methylpiperidine
CID 159548127
(4R)-5-cyclobutyl-7-[2-(2,3-difluorophenyl)imidazol-1-yl]-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979292
5-cyclobutyl-7-[2-(2,3-difluorophenyl)imidazol-1-yl]-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979297
5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 141194019

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-ethyl-7-(2-pyrrolidin-1-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 5-cyclopentyl-4-ethyl-7-(2-pyrrolidin-1-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 67499398) is 5-cyclopentyl-4-ethyl-7-(2-pyrrolidin-1-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 5-cyclopentyl-4-ethyl-7-(2-pyrrolidin-1-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 5-cyclopentyl-4-ethyl-7-(2-pyrrolidin-1-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nncn2-c2cnc(-n3ccnc3N3CCCC3)nc2N1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-ethyl-7-(2-pyrrolidin-1-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is ZZKITOBRIIWZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N9/c1-2-16-19-26-24-14-29(19)17-13-23-20(25-18(17)30(16)15-7-3-4-8-15)28-12-9-22-21(28)27-10-5-6-11-27/h9,12-16H,2-8,10-11H2,1H3.
What are the key properties of 5-cyclopentyl-4-ethyl-7-(2-pyrrolidin-1-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
5-cyclopentyl-4-ethyl-7-(2-pyrrolidin-1-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 405.51 g/mol, XLogP of 3.06, 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-pyrrolidin-1-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 67499398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).