[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone

C20H19FN4O2 — CID 67968119

IUPAC[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1
InChIInChI=1S/C20H19FN4O2/c1-14-19(6-3-7-22-14)20(26)24-8-9-25-17(12-24)11-16(23-25)13-27-18-5-2-4-15(21)10-18/h2-7,10-11H,8-9,12-13H2,1H3
InChIKeyLXBUPQQYMHCTRG-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.96
Rot. Bonds4

About [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone

[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone (PubChem CID 67968119) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone
PubChem CID67968119
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1
InChIInChI=1S/C20H19FN4O2/c1-14-19(6-3-7-22-14)20(26)24-8-9-25-17(12-24)11-16(23-25)13-27-18-5-2-4-15(21)10-18/h2-7,10-11H,8-9,12-13H2,1H3
InChIKeyLXBUPQQYMHCTRG-UHFFFAOYSA-N
XLogP2.96
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone (CID 67968119) is [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone is Cc1ncccc1C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1.
What is the InChIKey of [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone?
The InChIKey is LXBUPQQYMHCTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-14-19(6-3-7-22-14)20(26)24-8-9-25-17(12-24)11-16(23-25)13-27-18-5-2-4-15(21)10-18/h2-7,10-11H,8-9,12-13H2,1H3.
What are the key properties of [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone?
[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone has a molecular weight of 366.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 67968119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).