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

C19H17FN4O2 — CID 67973912

IUPAC5-(5-fluoro-2-pyridinyl)-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cccc(OCc2cc3n(n2)CCN(c2ccc(F)cn2)C3=O)c1
InChIInChI=1S/C19H17FN4O2/c1-13-3-2-4-16(9-13)26-12-15-10-17-19(25)23(7-8-24(17)22-15)18-6-5-14(20)11-21-18/h2-6,9-11H,7-8,12H2,1H3
InChIKeyQIEUUDSVEKZYBK-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.97
Rot. Bonds4

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

5-(5-fluoro-2-pyridinyl)-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67973912) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 5-(5-fluoro-2-pyridinyl)-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(5-fluoro-2-pyridinyl)-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67973912
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name5-(5-fluoro-2-pyridinyl)-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cccc(OCc2cc3n(n2)CCN(c2ccc(F)cn2)C3=O)c1
InChIInChI=1S/C19H17FN4O2/c1-13-3-2-4-16(9-13)26-12-15-10-17-19(25)23(7-8-24(17)22-15)18-6-5-14(20)11-21-18/h2-6,9-11H,7-8,12H2,1H3
InChIKeyQIEUUDSVEKZYBK-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-2-pyridinyl)-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(5-fluoro-2-pyridinyl)-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67973912) is 5-(5-fluoro-2-pyridinyl)-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(5-fluoro-2-pyridinyl)-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(5-fluoro-2-pyridinyl)-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cccc(OCc2cc3n(n2)CCN(c2ccc(F)cn2)C3=O)c1.
What is the InChIKey of 5-(5-fluoro-2-pyridinyl)-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is QIEUUDSVEKZYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-13-3-2-4-16(9-13)26-12-15-10-17-19(25)23(7-8-24(17)22-15)18-6-5-14(20)11-21-18/h2-6,9-11H,7-8,12H2,1H3.
What are the key properties of 5-(5-fluoro-2-pyridinyl)-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(5-fluoro-2-pyridinyl)-2-[(3-methylphenoxy)methyl]-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-2-pyridinyl)-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67973912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).