2-(3-methoxypyrrolidin-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine

C20H24F3N7OS — CID 58333764

About 2-(3-methoxypyrrolidin-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine

2-(3-methoxypyrrolidin-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine (PubChem CID 58333764) has the molecular formula C20H24F3N7OS and a molecular weight of 467.52 g/mol. Its IUPAC name is 2-(3-methoxypyrrolidin-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(3-methoxypyrrolidin-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
• PubChem CID: 58333764
• Molecular Formula: C20H24F3N7OS
• Molecular Weight: 467.52 g/mol
• Exact Mass: 467.17
• IUPAC Name: 2-(3-methoxypyrrolidin-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
• SMILES: CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCC(OC)C3)nc2s1
• InChI: InChI=1S/C20H24F3N7OS/c1-3-4-13-9-14-16(24-19(25-17(14)32-13)29-6-5-12(10-29)31-2)28-7-8-30-15(11-28)26-27-18(30)20(21,22)23/h9,12H,3-8,10-11H2,1-2H3
• InChIKey: VVOUHTJOJNXPHB-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 72.20 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.52
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine?

The IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine (CID 58333764) is 2-(3-methoxypyrrolidin-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine.

What is the SMILES notation for 2-(3-methoxypyrrolidin-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine?

The canonical SMILES for 2-(3-methoxypyrrolidin-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCC(OC)C3)nc2s1.

What is the InChIKey of 2-(3-methoxypyrrolidin-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine?

The InChIKey is VVOUHTJOJNXPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N7OS/c1-3-4-13-9-14-16(24-19(25-17(14)32-13)29-6-5-12(10-29)31-2)28-7-8-30-15(11-28)26-27-18(30)20(21,22)23/h9,12H,3-8,10-11H2,1-2H3.

What are the key properties of 2-(3-methoxypyrrolidin-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine?

2-(3-methoxypyrrolidin-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine has a molecular weight of 467.52 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxypyrrolidin-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 58333764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).