5-(5-fluoro-3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H17FN4O2 — CID 67973993

IUPAC5-(5-fluoro-3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(F)cnc1N1CCn2nc(COc3ccccc3)cc2C1=O
InChIInChI=1S/C19H17FN4O2/c1-13-9-14(20)11-21-18(13)23-7-8-24-17(19(23)25)10-15(22-24)12-26-16-5-3-2-4-6-16/h2-6,9-11H,7-8,12H2,1H3
InChIKeyNFULOCNGRSNYCB-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.97
Rot. Bonds4

About 5-(5-fluoro-3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(5-fluoro-3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67973993) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 5-(5-fluoro-3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(5-fluoro-3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67973993
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name5-(5-fluoro-3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(F)cnc1N1CCn2nc(COc3ccccc3)cc2C1=O
InChIInChI=1S/C19H17FN4O2/c1-13-9-14(20)11-21-18(13)23-7-8-24-17(19(23)25)10-15(22-24)12-26-16-5-3-2-4-6-16/h2-6,9-11H,7-8,12H2,1H3
InChIKeyNFULOCNGRSNYCB-UHFFFAOYSA-N
XLogP2.97
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(5-fluoro-3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67973993) is 5-(5-fluoro-3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(5-fluoro-3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(5-fluoro-3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cc(F)cnc1N1CCn2nc(COc3ccccc3)cc2C1=O.
What is the InChIKey of 5-(5-fluoro-3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is NFULOCNGRSNYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-13-9-14(20)11-21-18(13)23-7-8-24-17(19(23)25)10-15(22-24)12-26-16-5-3-2-4-6-16/h2-6,9-11H,7-8,12H2,1H3.
What are the key properties of 5-(5-fluoro-3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(5-fluoro-3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 352.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67973993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).