2-[3-(2-cyanophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N-(2-fluorophenyl)acetamide

C21H16FN5O2 — CID 53345510

IUPAC2-[3-(2-cyanophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESN#Cc1ccccc1-c1ncc2n1C(CC(=O)Nc1ccccc1F)CNC2=O
InChIInChI=1S/C21H16FN5O2/c22-16-7-3-4-8-17(16)26-19(28)9-14-11-25-21(29)18-12-24-20(27(14)18)15-6-2-1-5-13(15)10-23/h1-8,12,14H,9,11H2,(H,25,29)(H,26,28)
InChIKeyVQTGJKNEXKOZGE-UHFFFAOYSA-N
MW389.39 g/mol
LogP2.87
Rot. Bonds4

About 2-[3-(2-cyanophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N-(2-fluorophenyl)acetamide

2-[3-(2-cyanophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 53345510) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 2-[3-(2-cyanophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-cyanophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N-(2-fluorophenyl)acetamide
PubChem CID53345510
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name2-[3-(2-cyanophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESN#Cc1ccccc1-c1ncc2n1C(CC(=O)Nc1ccccc1F)CNC2=O
InChIInChI=1S/C21H16FN5O2/c22-16-7-3-4-8-17(16)26-19(28)9-14-11-25-21(29)18-12-24-20(27(14)18)15-6-2-1-5-13(15)10-23/h1-8,12,14H,9,11H2,(H,25,29)(H,26,28)
InChIKeyVQTGJKNEXKOZGE-UHFFFAOYSA-N
XLogP2.87
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide
CID 53345713
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-(2-fluorophenyl)acetamide
CID 82099362
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 120663957
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 9286817
N-(2-cyanophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80571680
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2-fluorophenyl)oxamide
CID 121107742
N-(2-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 7183852
2-(3-cyano-4-fluoroanilino)-N-(2-fluorophenyl)acetamide
CID 62317346
2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 91546597
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135
1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea
CID 79503483

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyanophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(2-cyanophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N-(2-fluorophenyl)acetamide (CID 53345510) is 2-[3-(2-cyanophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(2-cyanophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(2-cyanophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N-(2-fluorophenyl)acetamide is N#Cc1ccccc1-c1ncc2n1C(CC(=O)Nc1ccccc1F)CNC2=O.
What is the InChIKey of 2-[3-(2-cyanophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is VQTGJKNEXKOZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c22-16-7-3-4-8-17(16)26-19(28)9-14-11-25-21(29)18-12-24-20(27(14)18)15-6-2-1-5-13(15)10-23/h1-8,12,14H,9,11H2,(H,25,29)(H,26,28).
What are the key properties of 2-[3-(2-cyanophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N-(2-fluorophenyl)acetamide?
2-[3-(2-cyanophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 389.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-cyanophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 53345510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).