(3-hydroxyazetidin-3-yl)-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]methanone

C16H22F3N5O2 — CID 167961518

IUPAC(3-hydroxyazetidin-3-yl)-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2nc(C(F)(F)F)n3c2CNCC3)CC1)C1(O)CNC1
InChIInChI=1S/C16H22F3N5O2/c17-16(18,19)13-22-12(11-7-20-3-6-24(11)13)10-1-4-23(5-2-10)14(25)15(26)8-21-9-15/h10,20-21,26H,1-9H2
InChIKeyPVWKZKSHPKPNPT-UHFFFAOYSA-N
MW373.38 g/mol
LogP0.05
Rot. Bonds2

About (3-hydroxyazetidin-3-yl)-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]methanone

(3-hydroxyazetidin-3-yl)-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]methanone (PubChem CID 167961518) has the molecular formula C16H22F3N5O2 and a molecular weight of 373.38 g/mol. Its IUPAC name is (3-hydroxyazetidin-3-yl)-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-3-yl)-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]methanone
PubChem CID167961518
Molecular FormulaC16H22F3N5O2
Molecular Weight373.38 g/mol
Exact Mass373.17
IUPAC Name(3-hydroxyazetidin-3-yl)-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2nc(C(F)(F)F)n3c2CNCC3)CC1)C1(O)CNC1
InChIInChI=1S/C16H22F3N5O2/c17-16(18,19)13-22-12(11-7-20-3-6-24(11)13)10-1-4-23(5-2-10)14(25)15(26)8-21-9-15/h10,20-21,26H,1-9H2
InChIKeyPVWKZKSHPKPNPT-UHFFFAOYSA-N
XLogP0.05
TPSA82.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-3-yl)-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxyazetidin-3-yl)-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]methanone (CID 167961518) is (3-hydroxyazetidin-3-yl)-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxyazetidin-3-yl)-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxyazetidin-3-yl)-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]methanone is O=C(N1CCC(c2nc(C(F)(F)F)n3c2CNCC3)CC1)C1(O)CNC1.
What is the InChIKey of (3-hydroxyazetidin-3-yl)-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is PVWKZKSHPKPNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O2/c17-16(18,19)13-22-12(11-7-20-3-6-24(11)13)10-1-4-23(5-2-10)14(25)15(26)8-21-9-15/h10,20-21,26H,1-9H2.
What are the key properties of (3-hydroxyazetidin-3-yl)-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]methanone?
(3-hydroxyazetidin-3-yl)-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 373.38 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-3-yl)-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 167961518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).