4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole

C21H23N9S — CID 66979882

About 4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole

4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole (PubChem CID 66979882) has the molecular formula C21H23N9S and a molecular weight of 433.55 g/mol. Its IUPAC name is 4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole
• PubChem CID: 66979882
• Molecular Formula: C21H23N9S
• Molecular Weight: 433.55 g/mol
• Exact Mass: 433.18
• IUPAC Name: 4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole
• SMILES: CC[C@@H]1c2nnc(C)n2-c2cnc(-n3ccnc3-c3cscn3)nc2N1C1CCCC1
• InChI: InChI=1S/C21H23N9S/c1-3-16-20-27-26-13(2)29(20)17-10-23-21(25-19(17)30(16)14-6-4-5-7-14)28-9-8-22-18(28)15-11-31-12-24-15/h8-12,14,16H,3-7H2,1-2H3/t16-/m1/s1
• InChIKey: ZIGLONLADGIOPE-MRXNPFEDSA-N
• XLogP: 3.89
• TPSA: 90.44 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.55
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole?

The IUPAC name of 4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole (CID 66979882) is 4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole.

What is the SMILES notation for 4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole?

The canonical SMILES for 4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole is CC[C@@H]1c2nnc(C)n2-c2cnc(-n3ccnc3-c3cscn3)nc2N1C1CCCC1.

What is the InChIKey of 4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole?

The InChIKey is ZIGLONLADGIOPE-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N9S/c1-3-16-20-27-26-13(2)29(20)17-10-23-21(25-19(17)30(16)14-6-4-5-7-14)28-9-8-22-18(28)15-11-31-12-24-15/h8-12,14,16H,3-7H2,1-2H3/t16-/m1/s1.

What are the key properties of 4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole?

4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole has a molecular weight of 433.55 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 66979882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).