[2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)-3-pyridinyl] 2,2,2-trifluoroacetate

C23H19F3N8O2 — CID 155287451

About [2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)-3-pyridinyl] 2,2,2-trifluoroacetate

[2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)-3-pyridinyl] 2,2,2-trifluoroacetate (PubChem CID 155287451) has the molecular formula C23H19F3N8O2 and a molecular weight of 496.45 g/mol. Its IUPAC name is [2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)-3-pyridinyl] 2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: [2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)-3-pyridinyl] 2,2,2-trifluoroacetate
• PubChem CID: 155287451
• Molecular Formula: C23H19F3N8O2
• Molecular Weight: 496.45 g/mol
• Exact Mass: 496.16
• IUPAC Name: [2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)-3-pyridinyl] 2,2,2-trifluoroacetate
• SMILES: Cc1cn2cc(-c3cnc(-c4ccc(N5CC6CC5CN6)nn4)c(OC(=O)C(F)(F)F)c3)cnc2n1
• InChI: InChI=1S/C23H19F3N8O2/c1-12-9-33-10-14(7-29-22(33)30-12)13-4-18(36-21(35)23(24,25)26)20(28-6-13)17-2-3-19(32-31-17)34-11-15-5-16(34)8-27-15/h2-4,6-7,9-10,15-16,27H,5,8,11H2,1H3
• InChIKey: UKQFEMQSGQVACS-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 110.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.45
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)-3-pyridinyl] 2,2,2-trifluoroacetate?

The IUPAC name of [2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)-3-pyridinyl] 2,2,2-trifluoroacetate (CID 155287451) is [2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)-3-pyridinyl] 2,2,2-trifluoroacetate.

What is the SMILES notation for [2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)-3-pyridinyl] 2,2,2-trifluoroacetate?

The canonical SMILES for [2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)-3-pyridinyl] 2,2,2-trifluoroacetate is Cc1cn2cc(-c3cnc(-c4ccc(N5CC6CC5CN6)nn4)c(OC(=O)C(F)(F)F)c3)cnc2n1.

What is the InChIKey of [2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)-3-pyridinyl] 2,2,2-trifluoroacetate?

The InChIKey is UKQFEMQSGQVACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N8O2/c1-12-9-33-10-14(7-29-22(33)30-12)13-4-18(36-21(35)23(24,25)26)20(28-6-13)17-2-3-19(32-31-17)34-11-15-5-16(34)8-27-15/h2-4,6-7,9-10,15-16,27H,5,8,11H2,1H3.

What are the key properties of [2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)-3-pyridinyl] 2,2,2-trifluoroacetate?

[2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)-3-pyridinyl] 2,2,2-trifluoroacetate has a molecular weight of 496.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)-3-pyridinyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 155287451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).