[1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-4-methylpiperidin-4-yl] 2,2,2-trifluoroacetate

C24H24ClF3N8O3 — CID 129097827

About [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-4-methylpiperidin-4-yl] 2,2,2-trifluoroacetate

[1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-4-methylpiperidin-4-yl] 2,2,2-trifluoroacetate (PubChem CID 129097827) has the molecular formula C24H24ClF3N8O3 and a molecular weight of 564.96 g/mol. Its IUPAC name is [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-4-methylpiperidin-4-yl] 2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-4-methylpiperidin-4-yl] 2,2,2-trifluoroacetate
• PubChem CID: 129097827
• Molecular Formula: C24H24ClF3N8O3
• Molecular Weight: 564.96 g/mol
• Exact Mass: 564.16
• IUPAC Name: [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-4-methylpiperidin-4-yl] 2,2,2-trifluoroacetate
• SMILES: CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCC(C)(OC(=O)C(F)(F)F)CC1
• InChI: InChI=1S/C24H24ClF3N8O3/c1-13(32-20(37)17-18(29)33-36-7-3-6-31-19(17)36)14-10-15(25)16-11-30-12-35(16)21(14)34-8-4-23(2,5-9-34)39-22(38)24(26,27)28/h3,6-7,10-13H,4-5,8-9H2,1-2H3,(H2,29,33)(H,32,37)
• InChIKey: FHIPQWPJKFFUBX-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 132.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.96
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-4-methylpiperidin-4-yl] 2,2,2-trifluoroacetate?

The IUPAC name of [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-4-methylpiperidin-4-yl] 2,2,2-trifluoroacetate (CID 129097827) is [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-4-methylpiperidin-4-yl] 2,2,2-trifluoroacetate.

What is the SMILES notation for [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-4-methylpiperidin-4-yl] 2,2,2-trifluoroacetate?

The canonical SMILES for [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-4-methylpiperidin-4-yl] 2,2,2-trifluoroacetate is CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCC(C)(OC(=O)C(F)(F)F)CC1.

What is the InChIKey of [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-4-methylpiperidin-4-yl] 2,2,2-trifluoroacetate?

The InChIKey is FHIPQWPJKFFUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N8O3/c1-13(32-20(37)17-18(29)33-36-7-3-6-31-19(17)36)14-10-15(25)16-11-30-12-35(16)21(14)34-8-4-23(2,5-9-34)39-22(38)24(26,27)28/h3,6-7,10-13H,4-5,8-9H2,1-2H3,(H2,29,33)(H,32,37).

What are the key properties of [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-4-methylpiperidin-4-yl] 2,2,2-trifluoroacetate?

[1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-4-methylpiperidin-4-yl] 2,2,2-trifluoroacetate has a molecular weight of 564.96 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-4-methylpiperidin-4-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 129097827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).