(3R,4R)-4-[[[3-cyclopropyl-7-[[6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol

C27H31F3N8O — CID 156525054

About (3R,4R)-4-[[[3-cyclopropyl-7-[[6-cyclopropyl-8-(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-[[6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (PubChem CID 156525054) has the molecular formula C27H31F3N8O and a molecular weight of 540.59 g/mol. Its IUPAC name is (3R,4R)-4-[[[3-cyclopropyl-7-[[6-cyclopropyl-8-(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-[[6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
• PubChem CID: 156525054
• Molecular Formula: C27H31F3N8O
• Molecular Weight: 540.59 g/mol
• Exact Mass: 540.26
• IUPAC Name: (3R,4R)-4-[[[3-cyclopropyl-7-[[6-cyclopropyl-8-(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(NCc2cn3cc(C4CC4)cc(C(F)(F)F)c3n2)n2ncc(C3CC3)c2n1
• InChI: InChI=1S/C27H31F3N8O/c28-27(29,30)21-7-18(15-1-2-15)13-37-14-19(35-26(21)37)10-33-24-8-23(32-9-17-5-6-31-12-22(17)39)36-25-20(16-3-4-16)11-34-38(24)25/h7-8,11,13-17,22,31,33,39H,1-6,9-10,12H2,(H,32,36)/t17-,22+/m1/s1
• InChIKey: YSBRIBLSJMVUGS-VGSWGCGISA-N
• XLogP: 4.14
• TPSA: 103.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.59
LogP ≤ 5	4.14
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-[[6-cyclopropyl-8-(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-[[6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (CID 156525054) is (3R,4R)-4-[[[3-cyclopropyl-7-[[6-cyclopropyl-8-(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-[[6-cyclopropyl-8-(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-[[6-cyclopropyl-8-(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(NCc2cn3cc(C4CC4)cc(C(F)(F)F)c3n2)n2ncc(C3CC3)c2n1.

What is the InChIKey of (3R,4R)-4-[[[3-cyclopropyl-7-[[6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?

The InChIKey is YSBRIBLSJMVUGS-VGSWGCGISA-N. The full InChI is InChI=1S/C27H31F3N8O/c28-27(29,30)21-7-18(15-1-2-15)13-37-14-19(35-26(21)37)10-33-24-8-23(32-9-17-5-6-31-12-22(17)39)36-25-20(16-3-4-16)11-34-38(24)25/h7-8,11,13-17,22,31,33,39H,1-6,9-10,12H2,(H,32,36)/t17-,22+/m1/s1.

What are the key properties of (3R,4R)-4-[[[3-cyclopropyl-7-[[6-cyclopropyl-8-(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-[[6-cyclopropyl-8-(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 540.59 g/mol, XLogP of 4.14, 8 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-[[6-cyclopropyl-8-(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 156525054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).