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

C20H20N4O3 — CID 67974263

IUPAC5-(6-methoxy-4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cc(C)cc(N2CCn3nc(COc4ccccc4)cc3C2=O)n1
InChIInChI=1S/C20H20N4O3/c1-14-10-18(21-19(11-14)26-2)23-8-9-24-17(20(23)25)12-15(22-24)13-27-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3
InChIKeyDKBOXDFFMACGHO-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.83
Rot. Bonds5

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

5-(6-methoxy-4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67974263) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-(6-methoxy-4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(6-methoxy-4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67974263
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name5-(6-methoxy-4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cc(C)cc(N2CCn3nc(COc4ccccc4)cc3C2=O)n1
InChIInChI=1S/C20H20N4O3/c1-14-10-18(21-19(11-14)26-2)23-8-9-24-17(20(23)25)12-15(22-24)13-27-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3
InChIKeyDKBOXDFFMACGHO-UHFFFAOYSA-N
XLogP2.83
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973692
5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973635
5-(6-ethyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67975619
5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67976051
5-(5,6-dimethoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67975979
5-(6-methylpyrazin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973649
5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974452
2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67975838
5-(3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973971
5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973966
5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974517
5-(6-methyl-2-pyridinyl)-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974409

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(6-methoxy-4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67974263) is 5-(6-methoxy-4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(6-methoxy-4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(6-methoxy-4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1cc(C)cc(N2CCn3nc(COc4ccccc4)cc3C2=O)n1.
What is the InChIKey of 5-(6-methoxy-4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DKBOXDFFMACGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-10-18(21-19(11-14)26-2)23-8-9-24-17(20(23)25)12-15(22-24)13-27-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3.
What are the key properties of 5-(6-methoxy-4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(6-methoxy-4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 364.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67974263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).