[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

C15H19FN6O2 — CID 91760910

IUPAC[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1cc2n(n1)CCN(c1ncc(F)c(N3CCOCC3)n1)C2
InChIInChI=1S/C15H19FN6O2/c16-13-8-17-15(18-14(13)20-3-5-24-6-4-20)21-1-2-22-12(9-21)7-11(10-23)19-22/h7-8,23H,1-6,9-10H2
InChIKeyFUTPUELNCASNHH-UHFFFAOYSA-N
MW334.36 g/mol
LogP0.16
Rot. Bonds3

About [5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 91760910) has the molecular formula C15H19FN6O2 and a molecular weight of 334.36 g/mol. Its IUPAC name is [5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID91760910
Molecular FormulaC15H19FN6O2
Molecular Weight334.36 g/mol
Exact Mass334.16
IUPAC Name[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1cc2n(n1)CCN(c1ncc(F)c(N3CCOCC3)n1)C2
InChIInChI=1S/C15H19FN6O2/c16-13-8-17-15(18-14(13)20-3-5-24-6-4-20)21-1-2-22-12(9-21)7-11(10-23)19-22/h7-8,23H,1-6,9-10H2
InChIKeyFUTPUELNCASNHH-UHFFFAOYSA-N
XLogP0.16
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 91760910) is [5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is OCc1cc2n(n1)CCN(c1ncc(F)c(N3CCOCC3)n1)C2.
What is the InChIKey of [5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is FUTPUELNCASNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O2/c16-13-8-17-15(18-14(13)20-3-5-24-6-4-20)21-1-2-22-12(9-21)7-11(10-23)19-22/h7-8,23H,1-6,9-10H2.
What are the key properties of [5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 334.36 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 91760910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).