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

C24H27F3N8O — CID 156525288

About (3R,4R)-4-[[[3-cyclopropyl-7-[[7-(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-cyclopropyl-7-[[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (PubChem CID 156525288) has the molecular formula C24H27F3N8O and a molecular weight of 500.53 g/mol. Its IUPAC name is (3R,4R)-4-[[[3-cyclopropyl-7-[[7-(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-cyclopropyl-7-[[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
• PubChem CID: 156525288
• Molecular Formula: C24H27F3N8O
• Molecular Weight: 500.53 g/mol
• Exact Mass: 500.23
• IUPAC Name: (3R,4R)-4-[[[3-cyclopropyl-7-[[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
• SMILES: O[C@H]1CNCC[C@@H]1CNc1cc(NCc2cn3ccc(C(F)(F)F)cc3n2)n2ncc(C3CC3)c2n1
• InChI: InChI=1S/C24H27F3N8O/c25-24(26,27)16-4-6-34-13-17(32-22(34)7-16)10-30-21-8-20(29-9-15-3-5-28-12-19(15)36)33-23-18(14-1-2-14)11-31-35(21)23/h4,6-8,11,13-15,19,28,30,36H,1-3,5,9-10,12H2,(H,29,33)/t15-,19+/m1/s1
• InChIKey: FAHSBSFAKSSWOV-BEFAXECRSA-N
• XLogP: 3.27
• TPSA: 103.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.53
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[[[3-cyclopropyl-7-[[7-(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-cyclopropyl-7-[[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (CID 156525288) is (3R,4R)-4-[[[3-cyclopropyl-7-[[7-(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-cyclopropyl-7-[[7-(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-cyclopropyl-7-[[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is O[C@H]1CNCC[C@@H]1CNc1cc(NCc2cn3ccc(C(F)(F)F)cc3n2)n2ncc(C3CC3)c2n1.

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

The InChIKey is FAHSBSFAKSSWOV-BEFAXECRSA-N. The full InChI is InChI=1S/C24H27F3N8O/c25-24(26,27)16-4-6-34-13-17(32-22(34)7-16)10-30-21-8-20(29-9-15-3-5-28-12-19(15)36)33-23-18(14-1-2-14)11-31-35(21)23/h4,6-8,11,13-15,19,28,30,36H,1-3,5,9-10,12H2,(H,29,33)/t15-,19+/m1/s1.

What are the key properties of (3R,4R)-4-[[[3-cyclopropyl-7-[[7-(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-cyclopropyl-7-[[7-(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 500.53 g/mol, XLogP of 3.27, 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-cyclopropyl-7-[[7-(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 156525288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).