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

C18H15FN4O2 — CID 127038586

IUPAC5-(4-fluoro-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(OCc3ccccc3)nn2CCN1c1cc(F)ccn1
InChIInChI=1S/C18H15FN4O2/c19-14-6-7-20-16(10-14)22-8-9-23-15(18(22)24)11-17(21-23)25-12-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2
InChIKeyXPBBBQDDCOLQDZ-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.66
Rot. Bonds4

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

5-(4-fluoro-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 127038586) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 5-(4-fluoro-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(4-fluoro-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID127038586
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name5-(4-fluoro-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(OCc3ccccc3)nn2CCN1c1cc(F)ccn1
InChIInChI=1S/C18H15FN4O2/c19-14-6-7-20-16(10-14)22-8-9-23-15(18(22)24)11-17(21-23)25-12-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2
InChIKeyXPBBBQDDCOLQDZ-UHFFFAOYSA-N
XLogP2.66
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(4-fluoro-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 127038586) is 5-(4-fluoro-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(4-fluoro-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(4-fluoro-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(OCc3ccccc3)nn2CCN1c1cc(F)ccn1.
What is the InChIKey of 5-(4-fluoro-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is XPBBBQDDCOLQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-14-6-7-20-16(10-14)22-8-9-23-15(18(22)24)11-17(21-23)25-12-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2.
What are the key properties of 5-(4-fluoro-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(4-fluoro-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 338.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 127038586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).