2-[3-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one

C21H19FN6O3 — CID 91908407

IUPAC2-[3-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cn2nc(-c3nc(C4CCCN(C(=O)c5ccccc5F)C4)no3)cc2c(=O)[nH]1
InChIInChI=1S/C21H19FN6O3/c1-12-10-28-17(19(29)23-12)9-16(25-28)20-24-18(26-31-20)13-5-4-8-27(11-13)21(30)14-6-2-3-7-15(14)22/h2-3,6-7,9-10,13H,4-5,8,11H2,1H3,(H,23,29)
InChIKeyHEKADPVJWOPWCF-UHFFFAOYSA-N
MW422.42 g/mol
LogP2.54
Rot. Bonds3

About 2-[3-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[3-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91908407) has the molecular formula C21H19FN6O3 and a molecular weight of 422.42 g/mol. Its IUPAC name is 2-[3-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[3-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91908407
Molecular FormulaC21H19FN6O3
Molecular Weight422.42 g/mol
Exact Mass422.15
IUPAC Name2-[3-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cn2nc(-c3nc(C4CCCN(C(=O)c5ccccc5F)C4)no3)cc2c(=O)[nH]1
InChIInChI=1S/C21H19FN6O3/c1-12-10-28-17(19(29)23-12)9-16(25-28)20-24-18(26-31-20)13-5-4-8-27(11-13)21(30)14-6-2-3-7-15(14)22/h2-3,6-7,9-10,13H,4-5,8,11H2,1H3,(H,23,29)
InChIKeyHEKADPVJWOPWCF-UHFFFAOYSA-N
XLogP2.54
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[3-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 91908407) is 2-[3-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[3-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[3-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one is Cc1cn2nc(-c3nc(C4CCCN(C(=O)c5ccccc5F)C4)no3)cc2c(=O)[nH]1.
What is the InChIKey of 2-[3-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HEKADPVJWOPWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O3/c1-12-10-28-17(19(29)23-12)9-16(25-28)20-24-18(26-31-20)13-5-4-8-27(11-13)21(30)14-6-2-3-7-15(14)22/h2-3,6-7,9-10,13H,4-5,8,11H2,1H3,(H,23,29).
What are the key properties of 2-[3-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[3-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 422.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91908407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).