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

C23H22ClF3N8O4 — CID 129097693

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

[(3R,5R)-1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-5-hydroxypiperidin-3-yl] 2,2,2-trifluoroacetate (PubChem CID 129097693) has the molecular formula C23H22ClF3N8O4 and a molecular weight of 566.93 g/mol. Its IUPAC name is [(3R,5R)-1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-5-hydroxypiperidin-3-yl] 2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: [(3R,5R)-1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-5-hydroxypiperidin-3-yl] 2,2,2-trifluoroacetate
• PubChem CID: 129097693
• Molecular Formula: C23H22ClF3N8O4
• Molecular Weight: 566.93 g/mol
• Exact Mass: 566.14
• IUPAC Name: [(3R,5R)-1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-5-hydroxypiperidin-3-yl] 2,2,2-trifluoroacetate
• SMILES: CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1C[C@H](O)C[C@@H](OC(=O)C(F)(F)F)C1
• InChI: InChI=1S/C23H22ClF3N8O4/c1-11(31-20(37)17-18(28)32-35-4-2-3-30-19(17)35)14-6-15(24)16-7-29-10-34(16)21(14)33-8-12(36)5-13(9-33)39-22(38)23(25,26)27/h2-4,6-7,10-13,36H,5,8-9H2,1H3,(H2,28,32)(H,31,37)/t11?,12-,13-/m1/s1
• InChIKey: AUXYAEIDIISKSX-VFRRUGBOSA-N
• XLogP: 2.15
• TPSA: 152.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.93
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of [(3R,5R)-1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-5-hydroxypiperidin-3-yl] 2,2,2-trifluoroacetate (CID 129097693) is [(3R,5R)-1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-5-hydroxypiperidin-3-yl] 2,2,2-trifluoroacetate.

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

The canonical SMILES for [(3R,5R)-1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-5-hydroxypiperidin-3-yl] 2,2,2-trifluoroacetate is CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1C[C@H](O)C[C@@H](OC(=O)C(F)(F)F)C1.

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

The InChIKey is AUXYAEIDIISKSX-VFRRUGBOSA-N. The full InChI is InChI=1S/C23H22ClF3N8O4/c1-11(31-20(37)17-18(28)32-35-4-2-3-30-19(17)35)14-6-15(24)16-7-29-10-34(16)21(14)33-8-12(36)5-13(9-33)39-22(38)23(25,26)27/h2-4,6-7,10-13,36H,5,8-9H2,1H3,(H2,28,32)(H,31,37)/t11?,12-,13-/m1/s1.

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

[(3R,5R)-1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-5-hydroxypiperidin-3-yl] 2,2,2-trifluoroacetate has a molecular weight of 566.93 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5R)-1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-5-hydroxypiperidin-3-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 129097693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).