3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine

C20H25F3N8O — CID 11270869

About 3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine

3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 11270869) has the molecular formula C20H25F3N8O and a molecular weight of 450.47 g/mol. Its IUPAC name is 3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine
• PubChem CID: 11270869
• Molecular Formula: C20H25F3N8O
• Molecular Weight: 450.47 g/mol
• Exact Mass: 450.21
• IUPAC Name: 3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine
• SMILES: Cc1cccc(Nc2nc(N3CCNCC3)nc3c(C)nn(CCOCC(F)(F)F)c23)n1
• InChI: InChI=1S/C20H25F3N8O/c1-13-4-3-5-15(25-13)26-18-17-16(27-19(28-18)30-8-6-24-7-9-30)14(2)29-31(17)10-11-32-12-20(21,22)23/h3-5,24H,6-12H2,1-2H3,(H,25,26,27,28)
• InChIKey: IVAPPJUVOQYBHT-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 93.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.47
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine?

The IUPAC name of 3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine (CID 11270869) is 3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine.

What is the SMILES notation for 3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine?

The canonical SMILES for 3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine is Cc1cccc(Nc2nc(N3CCNCC3)nc3c(C)nn(CCOCC(F)(F)F)c23)n1.

What is the InChIKey of 3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine?

The InChIKey is IVAPPJUVOQYBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N8O/c1-13-4-3-5-15(25-13)26-18-17-16(27-19(28-18)30-8-6-24-7-9-30)14(2)29-31(17)10-11-32-12-20(21,22)23/h3-5,24H,6-12H2,1-2H3,(H,25,26,27,28).

What are the key properties of 3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine?

3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 450.47 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 11270869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).