2-[6-methyl-8-oxo-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl]-N-(oxan-4-yl)acetamide

C15H19F3N4O3 — CID 155900676

IUPAC2-[6-methyl-8-oxo-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl]-N-(oxan-4-yl)acetamide
SMILESCC1Cn2c(cnc2C(F)(F)F)C(=O)N1CC(=O)NC1CCOCC1
InChIInChI=1S/C15H19F3N4O3/c1-9-7-22-11(6-19-14(22)15(16,17)18)13(24)21(9)8-12(23)20-10-2-4-25-5-3-10/h6,9-10H,2-5,7-8H2,1H3,(H,20,23)
InChIKeyRNGVUNICQNXBNJ-UHFFFAOYSA-N
MW360.34 g/mol
LogP1.04
Rot. Bonds3

About 2-[6-methyl-8-oxo-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl]-N-(oxan-4-yl)acetamide

2-[6-methyl-8-oxo-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl]-N-(oxan-4-yl)acetamide (PubChem CID 155900676) has the molecular formula C15H19F3N4O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is 2-[6-methyl-8-oxo-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[6-methyl-8-oxo-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl]-N-(oxan-4-yl)acetamide
PubChem CID155900676
Molecular FormulaC15H19F3N4O3
Molecular Weight360.34 g/mol
Exact Mass360.14
IUPAC Name2-[6-methyl-8-oxo-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl]-N-(oxan-4-yl)acetamide
SMILESCC1Cn2c(cnc2C(F)(F)F)C(=O)N1CC(=O)NC1CCOCC1
InChIInChI=1S/C15H19F3N4O3/c1-9-7-22-11(6-19-14(22)15(16,17)18)13(24)21(9)8-12(23)20-10-2-4-25-5-3-10/h6,9-10H,2-5,7-8H2,1H3,(H,20,23)
InChIKeyRNGVUNICQNXBNJ-UHFFFAOYSA-N
XLogP1.04
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11142526, Example 186
CID 137530763
US11142526, Example 181
CID 137532984
US11142526, Example 37
CID 137533137
US11142526, Example 183
CID 137533181
US11142526, Example 182
CID 137533187
US11142526, Example 189
CID 137533189
US11142526, Example 174
CID 137533192
US11142526, Example 191
CID 137533213
3-methyl-5H,6H,7H,8H-imidazo[1,5-a]pyrazin-8-one
CID 58970104
N-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 71911567
N-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 71911616
7-acetyl-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 97468765

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-8-oxo-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[6-methyl-8-oxo-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl]-N-(oxan-4-yl)acetamide (CID 155900676) is 2-[6-methyl-8-oxo-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[6-methyl-8-oxo-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[6-methyl-8-oxo-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl]-N-(oxan-4-yl)acetamide is CC1Cn2c(cnc2C(F)(F)F)C(=O)N1CC(=O)NC1CCOCC1.
What is the InChIKey of 2-[6-methyl-8-oxo-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is RNGVUNICQNXBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O3/c1-9-7-22-11(6-19-14(22)15(16,17)18)13(24)21(9)8-12(23)20-10-2-4-25-5-3-10/h6,9-10H,2-5,7-8H2,1H3,(H,20,23).
What are the key properties of 2-[6-methyl-8-oxo-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl]-N-(oxan-4-yl)acetamide?
2-[6-methyl-8-oxo-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 360.34 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-8-oxo-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 155900676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).