1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid

C15H13F3N4O3 — CID 174593418

IUPAC1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
SMILESO=C(Nc1nc(C(F)(F)F)n2c1CN(C(=O)O)CC2)c1ccccc1
InChIInChI=1S/C15H13F3N4O3/c16-15(17,18)13-20-11(19-12(23)9-4-2-1-3-5-9)10-8-21(14(24)25)6-7-22(10)13/h1-5H,6-8H2,(H,19,23)(H,24,25)
InChIKeyNKSXAPOAWICCKH-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.65
Rot. Bonds2

About 1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid

1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid (PubChem CID 174593418) has the molecular formula C15H13F3N4O3 and a molecular weight of 354.29 g/mol. Its IUPAC name is 1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
PubChem CID174593418
Molecular FormulaC15H13F3N4O3
Molecular Weight354.29 g/mol
Exact Mass354.09
IUPAC Name1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
SMILESO=C(Nc1nc(C(F)(F)F)n2c1CN(C(=O)O)CC2)c1ccccc1
InChIInChI=1S/C15H13F3N4O3/c16-15(17,18)13-20-11(19-12(23)9-4-2-1-3-5-9)10-8-21(14(24)25)6-7-22(10)13/h1-5H,6-8H2,(H,19,23)(H,24,25)
InChIKeyNKSXAPOAWICCKH-UHFFFAOYSA-N
XLogP2.65
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]benzamide
CID 44513417
N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-4-fluorobenzamide;hydrochloride
CID 174601891
N-[3-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]benzamide
CID 143807588
N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide
CID 76848918
tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 157300836
(2-fluorophenyl)-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 141276416
N-[1-acetyl-5-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 141308575
7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
CID 115267854
1-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-chloroethanone
CID 154879593
7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-pyridin-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;dihydrochloride
CID 86646920
N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565036
N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
CID 90514908

Frequently Asked Questions

What is the IUPAC name of 1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The IUPAC name of 1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid (CID 174593418) is 1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid is O=C(Nc1nc(C(F)(F)F)n2c1CN(C(=O)O)CC2)c1ccccc1.
What is the InChIKey of 1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The InChIKey is NKSXAPOAWICCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3/c16-15(17,18)13-20-11(19-12(23)9-4-2-1-3-5-9)10-8-21(14(24)25)6-7-22(10)13/h1-5H,6-8H2,(H,19,23)(H,24,25).
What are the key properties of 1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid has a molecular weight of 354.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 174593418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).