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

C13H18F3N5O3S — CID 141192720

IUPAC(4-methylsulfonylpiperazin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2nc(C(F)(F)F)n3c2CNCC3)CC1
InChIInChI=1S/C13H18F3N5O3S/c1-25(23,24)20-6-4-19(5-7-20)11(22)10-9-8-17-2-3-21(9)12(18-10)13(14,15)16/h17H,2-8H2,1H3
InChIKeyVKUBPLTUKHTWGU-UHFFFAOYSA-N
MW381.38 g/mol
LogP-0.28
Rot. Bonds2

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

(4-methylsulfonylpiperazin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone (PubChem CID 141192720) has the molecular formula C13H18F3N5O3S and a molecular weight of 381.38 g/mol. Its IUPAC name is (4-methylsulfonylpiperazin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperazin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone
PubChem CID141192720
Molecular FormulaC13H18F3N5O3S
Molecular Weight381.38 g/mol
Exact Mass381.11
IUPAC Name(4-methylsulfonylpiperazin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2nc(C(F)(F)F)n3c2CNCC3)CC1
InChIInChI=1S/C13H18F3N5O3S/c1-25(23,24)20-6-4-19(5-7-20)11(22)10-9-8-17-2-3-21(9)12(18-10)13(14,15)16/h17H,2-8H2,1H3
InChIKeyVKUBPLTUKHTWGU-UHFFFAOYSA-N
XLogP-0.28
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperazin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone?
The IUPAC name of (4-methylsulfonylpiperazin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone (CID 141192720) is (4-methylsulfonylpiperazin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone.
What is the SMILES notation for (4-methylsulfonylpiperazin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone?
The canonical SMILES for (4-methylsulfonylpiperazin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone is CS(=O)(=O)N1CCN(C(=O)c2nc(C(F)(F)F)n3c2CNCC3)CC1.
What is the InChIKey of (4-methylsulfonylpiperazin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone?
The InChIKey is VKUBPLTUKHTWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5O3S/c1-25(23,24)20-6-4-19(5-7-20)11(22)10-9-8-17-2-3-21(9)12(18-10)13(14,15)16/h17H,2-8H2,1H3.
What are the key properties of (4-methylsulfonylpiperazin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone?
(4-methylsulfonylpiperazin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone has a molecular weight of 381.38 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperazin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone is sourced from PubChem (CID 141192720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).