5-(5-fluoro-4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile

C12H11FN6O — CID 137335501

IUPAC5-(5-fluoro-4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESCOc1nc(N2CCn3nc(C#N)cc3C2)ncc1F
InChIInChI=1S/C12H11FN6O/c1-20-11-10(13)6-15-12(16-11)18-2-3-19-9(7-18)4-8(5-14)17-19/h4,6H,2-3,7H2,1H3
InChIKeyKPSLZZMCLUCFAP-UHFFFAOYSA-N
MW274.26 g/mol
LogP0.71
Rot. Bonds2

About 5-(5-fluoro-4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile

5-(5-fluoro-4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (PubChem CID 137335501) has the molecular formula C12H11FN6O and a molecular weight of 274.26 g/mol. Its IUPAC name is 5-(5-fluoro-4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(5-fluoro-4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
PubChem CID137335501
Molecular FormulaC12H11FN6O
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC Name5-(5-fluoro-4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESCOc1nc(N2CCn3nc(C#N)cc3C2)ncc1F
InChIInChI=1S/C12H11FN6O/c1-20-11-10(13)6-15-12(16-11)18-2-3-19-9(7-18)4-8(5-14)17-19/h4,6H,2-3,7H2,1H3
InChIKeyKPSLZZMCLUCFAP-UHFFFAOYSA-N
XLogP0.71
TPSA79.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The IUPAC name of 5-(5-fluoro-4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (CID 137335501) is 5-(5-fluoro-4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(5-fluoro-4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The canonical SMILES for 5-(5-fluoro-4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is COc1nc(N2CCn3nc(C#N)cc3C2)ncc1F.
What is the InChIKey of 5-(5-fluoro-4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The InChIKey is KPSLZZMCLUCFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN6O/c1-20-11-10(13)6-15-12(16-11)18-2-3-19-9(7-18)4-8(5-14)17-19/h4,6H,2-3,7H2,1H3.
What are the key properties of 5-(5-fluoro-4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
5-(5-fluoro-4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile has a molecular weight of 274.26 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-4-methoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is sourced from PubChem (CID 137335501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).