7-[(3-methyl-2-pyridinyl)sulfonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C13H13F3N4O2S — CID 167765171

IUPAC7-[(3-methyl-2-pyridinyl)sulfonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCc1cccnc1S(=O)(=O)N1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C13H13F3N4O2S/c1-9-3-2-4-17-11(9)23(21,22)19-5-6-20-10(8-19)7-18-12(20)13(14,15)16/h2-4,7H,5-6,8H2,1H3
InChIKeyUKERUYLJWLQXAR-UHFFFAOYSA-N
MW346.33 g/mol
LogP1.81
Rot. Bonds2

About 7-[(3-methyl-2-pyridinyl)sulfonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

7-[(3-methyl-2-pyridinyl)sulfonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 167765171) has the molecular formula C13H13F3N4O2S and a molecular weight of 346.33 g/mol. Its IUPAC name is 7-[(3-methyl-2-pyridinyl)sulfonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(3-methyl-2-pyridinyl)sulfonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID167765171
Molecular FormulaC13H13F3N4O2S
Molecular Weight346.33 g/mol
Exact Mass346.07
IUPAC Name7-[(3-methyl-2-pyridinyl)sulfonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCc1cccnc1S(=O)(=O)N1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C13H13F3N4O2S/c1-9-3-2-4-17-11(9)23(21,22)19-5-6-20-10(8-19)7-18-12(20)13(14,15)16/h2-4,7H,5-6,8H2,1H3
InChIKeyUKERUYLJWLQXAR-UHFFFAOYSA-N
XLogP1.81
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-methyl-2-pyridinyl)sulfonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 7-[(3-methyl-2-pyridinyl)sulfonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 167765171) is 7-[(3-methyl-2-pyridinyl)sulfonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 7-[(3-methyl-2-pyridinyl)sulfonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 7-[(3-methyl-2-pyridinyl)sulfonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is Cc1cccnc1S(=O)(=O)N1CCn2c(cnc2C(F)(F)F)C1.
What is the InChIKey of 7-[(3-methyl-2-pyridinyl)sulfonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is UKERUYLJWLQXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2S/c1-9-3-2-4-17-11(9)23(21,22)19-5-6-20-10(8-19)7-18-12(20)13(14,15)16/h2-4,7H,5-6,8H2,1H3.
What are the key properties of 7-[(3-methyl-2-pyridinyl)sulfonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
7-[(3-methyl-2-pyridinyl)sulfonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 346.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methyl-2-pyridinyl)sulfonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 167765171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).