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

C20H20FN5O2 — CID 67974517

IUPAC5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN(C)c1nc(N2CCn3nc(COc4ccccc4)cc3C2=O)ccc1F
InChIInChI=1S/C20H20FN5O2/c1-24(2)19-16(21)8-9-18(22-19)25-10-11-26-17(20(25)27)12-14(23-26)13-28-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyNZSFUPRPMMLZQM-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.72
Rot. Bonds5

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

5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67974517) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67974517
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN(C)c1nc(N2CCn3nc(COc4ccccc4)cc3C2=O)ccc1F
InChIInChI=1S/C20H20FN5O2/c1-24(2)19-16(21)8-9-18(22-19)25-10-11-26-17(20(25)27)12-14(23-26)13-28-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyNZSFUPRPMMLZQM-UHFFFAOYSA-N
XLogP2.72
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-ethyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67975619
5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973966
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-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973635
5-(6-methylpyrazin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973649
5-(6-methoxy-4-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974263
5-(2-methoxy-6-methylpyrimidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973692
5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974452
5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67975977
5-[6-(dimethylamino)-3-fluoro-2-pyridinyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67975955
5-(3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973971

Frequently Asked Questions

What is the IUPAC name of 5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67974517) is 5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CN(C)c1nc(N2CCn3nc(COc4ccccc4)cc3C2=O)ccc1F.
What is the InChIKey of 5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is NZSFUPRPMMLZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-24(2)19-16(21)8-9-18(22-19)25-10-11-26-17(20(25)27)12-14(23-26)13-28-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 381.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67974517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).