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

C18H16FN5O2 — CID 57387133

IUPAC[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCn2nc(COc3cccc(F)c3)cc2C1
InChIInChI=1S/C18H16FN5O2/c19-13-2-1-3-16(8-13)26-12-14-9-15-11-23(6-7-24(15)22-14)18(25)17-10-20-4-5-21-17/h1-5,8-10H,6-7,11-12H2
InChIKeyGNPWJRJUVZBQJJ-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.05
Rot. Bonds4

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

[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrazin-2-ylmethanone (PubChem CID 57387133) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrazin-2-ylmethanone
PubChem CID57387133
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCn2nc(COc3cccc(F)c3)cc2C1
InChIInChI=1S/C18H16FN5O2/c19-13-2-1-3-16(8-13)26-12-14-9-15-11-23(6-7-24(15)22-14)18(25)17-10-20-4-5-21-17/h1-5,8-10H,6-7,11-12H2
InChIKeyGNPWJRJUVZBQJJ-UHFFFAOYSA-N
XLogP2.05
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]-pyrazin-2-ylmethanone?
The IUPAC name of [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrazin-2-ylmethanone (CID 57387133) is [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)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]-pyrazin-2-ylmethanone?
The InChIKey is GNPWJRJUVZBQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c19-13-2-1-3-16(8-13)26-12-14-9-15-11-23(6-7-24(15)22-14)18(25)17-10-20-4-5-21-17/h1-5,8-10H,6-7,11-12H2.
What are the key properties of [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrazin-2-ylmethanone?
[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrazin-2-ylmethanone has a molecular weight of 353.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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]-pyrazin-2-ylmethanone is sourced from PubChem (CID 57387133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).