5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine

C22H21FN8 — CID 66979445

About 5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine

5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 66979445) has the molecular formula C22H21FN8 and a molecular weight of 416.46 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

• Compound Name: 5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
• PubChem CID: 66979445
• Molecular Formula: C22H21FN8
• Molecular Weight: 416.46 g/mol
• Exact Mass: 416.19
• IUPAC Name: 5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
• SMILES: CCC1c2nncn2-c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1CC1CC1
• InChI: InChI=1S/C22H21FN8/c1-2-17-21-28-26-13-31(21)18-11-25-22(27-20(18)30(17)12-14-3-4-14)29-10-9-24-19(29)15-5-7-16(23)8-6-15/h5-11,13-14,17H,2-4,12H2,1H3
• InChIKey: WKECGIDDBVVDGL-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 77.55 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.46
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?

The IUPAC name of 5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 66979445) is 5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine.

What is the SMILES notation for 5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?

The canonical SMILES for 5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nncn2-c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1CC1CC1.

What is the InChIKey of 5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?

The InChIKey is WKECGIDDBVVDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN8/c1-2-17-21-28-26-13-31(21)18-11-25-22(27-20(18)30(17)12-14-3-4-14)29-10-9-24-19(29)15-5-7-16(23)8-6-15/h5-11,13-14,17H,2-4,12H2,1H3.

What are the key properties of 5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?

5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 416.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 66979445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).