5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H19N5O3 — CID 67973692

IUPAC5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1nc(C)cc(N2CCn3nc(COc4ccccc4)cc3C2=O)n1
InChIInChI=1S/C19H19N5O3/c1-13-10-17(21-19(20-13)26-2)23-8-9-24-16(18(23)25)11-14(22-24)12-27-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyJRHIQMMFLLLOOS-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.23
Rot. Bonds5

About 5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67973692) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67973692
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1nc(C)cc(N2CCn3nc(COc4ccccc4)cc3C2=O)n1
InChIInChI=1S/C19H19N5O3/c1-13-10-17(21-19(20-13)26-2)23-8-9-24-16(18(23)25)11-14(22-24)12-27-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyJRHIQMMFLLLOOS-UHFFFAOYSA-N
XLogP2.23
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67973692) is 5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1nc(C)cc(N2CCn3nc(COc4ccccc4)cc3C2=O)n1.
What is the InChIKey of 5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is JRHIQMMFLLLOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-13-10-17(21-19(20-13)26-2)23-8-9-24-16(18(23)25)11-14(22-24)12-27-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of 5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 365.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67973692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).