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

C19H16F2N4O2 — CID 67968121

IUPAC[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)N1CCn2nc(COc3cccc(F)c3)cc2C1
InChIInChI=1S/C19H16F2N4O2/c20-14-2-1-3-18(7-14)27-12-16-8-17-11-24(4-5-25(17)23-16)19(26)13-6-15(21)10-22-9-13/h1-3,6-10H,4-5,11-12H2
InChIKeyMFPOBUPGRRBHDF-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.79
Rot. Bonds4

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

[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-fluoro-3-pyridinyl)methanone (PubChem CID 67968121) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-fluoro-3-pyridinyl)methanone
PubChem CID67968121
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)N1CCn2nc(COc3cccc(F)c3)cc2C1
InChIInChI=1S/C19H16F2N4O2/c20-14-2-1-3-18(7-14)27-12-16-8-17-11-24(4-5-25(17)23-16)19(26)13-6-15(21)10-22-9-13/h1-3,6-10H,4-5,11-12H2
InChIKeyMFPOBUPGRRBHDF-UHFFFAOYSA-N
XLogP2.79
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.79
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]-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-fluoro-3-pyridinyl)methanone (CID 67968121) is [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-fluoro-3-pyridinyl)methanone is O=C(c1cncc(F)c1)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]-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is MFPOBUPGRRBHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c20-14-2-1-3-18(7-14)27-12-16-8-17-11-24(4-5-25(17)23-16)19(26)13-6-15(21)10-22-9-13/h1-3,6-10H,4-5,11-12H2.
What are the key properties of [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-fluoro-3-pyridinyl)methanone?
[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 370.36 g/mol, XLogP of 2.79, 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]-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 67968121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).