[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone

C22H20F3N7O2 — CID 121439874

IUPAC[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone
SMILESC[C@@H]1CC[C@@H](Oc2nccn3c(C(F)(F)F)cnc23)CN1C(=O)c1cccnc1-n1cccn1
InChIInChI=1S/C22H20F3N7O2/c1-14-5-6-15(34-20-19-28-12-17(22(23,24)25)30(19)11-9-27-20)13-31(14)21(33)16-4-2-7-26-18(16)32-10-3-8-29-32/h2-4,7-12,14-15H,5-6,13H2,1H3/t14-,15-/m1/s1
InChIKeyXKLXYPZJASGHGH-HUUCEWRRSA-N
MW471.44 g/mol
LogP3.40
Rot. Bonds4

About [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone

[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone (PubChem CID 121439874) has the molecular formula C22H20F3N7O2 and a molecular weight of 471.44 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone
PubChem CID121439874
Molecular FormulaC22H20F3N7O2
Molecular Weight471.44 g/mol
Exact Mass471.16
IUPAC Name[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone
SMILESC[C@@H]1CC[C@@H](Oc2nccn3c(C(F)(F)F)cnc23)CN1C(=O)c1cccnc1-n1cccn1
InChIInChI=1S/C22H20F3N7O2/c1-14-5-6-15(34-20-19-28-12-17(22(23,24)25)30(19)11-9-27-20)13-31(14)21(33)16-4-2-7-26-18(16)32-10-3-8-29-32/h2-4,7-12,14-15H,5-6,13H2,1H3/t14-,15-/m1/s1
InChIKeyXKLXYPZJASGHGH-HUUCEWRRSA-N
XLogP3.40
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone (CID 121439874) is [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone is C[C@@H]1CC[C@@H](Oc2nccn3c(C(F)(F)F)cnc23)CN1C(=O)c1cccnc1-n1cccn1.
What is the InChIKey of [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone?
The InChIKey is XKLXYPZJASGHGH-HUUCEWRRSA-N. The full InChI is InChI=1S/C22H20F3N7O2/c1-14-5-6-15(34-20-19-28-12-17(22(23,24)25)30(19)11-9-27-20)13-31(14)21(33)16-4-2-7-26-18(16)32-10-3-8-29-32/h2-4,7-12,14-15H,5-6,13H2,1H3/t14-,15-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone?
[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone has a molecular weight of 471.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 121439874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).