(3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol

C₂₃H₂₇F₃N₈O — CID 156525315

About (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol

(3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (PubChem CID 156525315) has the molecular formula C₂₃H₂₇F₃N₈O and a molecular weight of 488.52 g/mol. Its IUPAC name is (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol.

Molecular Properties

• Compound Name: (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
• PubChem CID: 156525315
• Molecular Formula: C₂₃H₂₇F₃N₈O
• Molecular Weight: 488.52 g/mol
• Exact Mass: 488.23
• IUPAC Name: (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
• SMILES: CCc1cnn2c(NCc3cn4c(C(F)(F)F)cccc4n3)cc(NC[C@H]3CCNC[C@@H]3O)nc12
• InChI: InChI=1S/C23H27F3N8O/c1-2-14-10-30-34-21(8-19(32-22(14)34)28-9-15-6-7-27-12-17(15)35)29-11-16-13-33-18(23(24,25)26)4-3-5-20(33)31-16/h3-5,8,10,13,15,17,27,29,35H,2,6-7,9,11-12H2,1H3,(H,28,32)/t15-,17+/m1/s1
• InChIKey: AXTNZYFHNOPPBL-WBVHZDCISA-N
• XLogP: 2.95
• TPSA: 103.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.52
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?

The IUPAC name of (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (CID 156525315) is (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol.

What is the SMILES notation for (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?

The canonical SMILES for (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is CCc1cnn2c(NCc3cn4c(C(F)(F)F)cccc4n3)cc(NC[C@H]3CCNC[C@@H]3O)nc12.

What is the InChIKey of (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?

The InChIKey is AXTNZYFHNOPPBL-WBVHZDCISA-N. The full InChI is InChI=1S/C23H27F3N8O/c1-2-14-10-30-34-21(8-19(32-22(14)34)28-9-15-6-7-27-12-17(15)35)29-11-16-13-33-18(23(24,25)26)4-3-5-20(33)31-16/h3-5,8,10,13,15,17,27,29,35H,2,6-7,9,11-12H2,1H3,(H,28,32)/t15-,17+/m1/s1.

What are the key properties of (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?

(3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol has a molecular weight of 488.52 g/mol, XLogP of 2.95, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-4-[[[3-ethyl-7-[[5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is sourced from PubChem (CID 156525315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156525315 — identifiers, structure, computed properties (public domain)

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