7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C12H13FN4O2 — CID 113252183

IUPAC7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C(c1ccncc1F)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C12H13FN4O2/c13-10-6-14-2-1-9(10)11(18)16-3-4-17-8(7-16)5-15-12(17)19/h1-2,6,8H,3-5,7H2,(H,15,19)
InChIKeySGZMHZFRQOMTFI-UHFFFAOYSA-N
MW264.26 g/mol
LogP0.07
Rot. Bonds1

About 7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 113252183) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID113252183
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C(c1ccncc1F)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C12H13FN4O2/c13-10-6-14-2-1-9(10)11(18)16-3-4-17-8(7-16)5-15-12(17)19/h1-2,6,8H,3-5,7H2,(H,15,19)
InChIKeySGZMHZFRQOMTFI-UHFFFAOYSA-N
XLogP0.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

7-(2-amino-5-fluorobenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092312
(4-ethyl-3-methylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115764496
(3-fluoro-4-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291522
7-(2,3-dihydroxybenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 114344503
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-4-pyridinyl)methanone;dihydrochloride
CID 120659128
(3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124511893
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202
(3-fluoro-4-pyridinyl)-[(1S,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 124854532
[3-(chloromethyl)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64956102
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
[3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 115661606
7-(3-hydroxypyridine-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095243

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 113252183) is 7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C(c1ccncc1F)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is SGZMHZFRQOMTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c13-10-6-14-2-1-9(10)11(18)16-3-4-17-8(7-16)5-15-12(17)19/h1-2,6,8H,3-5,7H2,(H,15,19).
What are the key properties of 7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 264.26 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 113252183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).