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

C22H24N10 — CID 66979458

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

5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 66979458) has the molecular formula C22H24N10 and a molecular weight of 428.50 g/mol. Its IUPAC name is 5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

• Compound Name: 5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
• PubChem CID: 66979458
• Molecular Formula: C22H24N10
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.22
• IUPAC Name: 5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
• SMILES: CCC1c2nnc(C)n2-c2cnc(-n3ccnc3-c3cncnc3)nc2N1C1CCCC1
• InChI: InChI=1S/C22H24N10/c1-3-17-21-29-28-14(2)31(21)18-12-26-22(27-20(18)32(17)16-6-4-5-7-16)30-9-8-25-19(30)15-10-23-13-24-11-15/h8-13,16-17H,3-7H2,1-2H3
• InChIKey: IMAMTULGHFXIJY-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 103.33 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?

The IUPAC name of 5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 66979458) is 5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

What is the SMILES notation for 5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?

The canonical SMILES for 5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nnc(C)n2-c2cnc(-n3ccnc3-c3cncnc3)nc2N1C1CCCC1.

What is the InChIKey of 5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?

The InChIKey is IMAMTULGHFXIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N10/c1-3-17-21-29-28-14(2)31(21)18-12-26-22(27-20(18)32(17)16-6-4-5-7-16)30-9-8-25-19(30)15-10-23-13-24-11-15/h8-13,16-17H,3-7H2,1-2H3.

What are the key properties of 5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?

5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 428.50 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 66979458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).