5-[6-(dimethylamino)-3-fluoro-2-pyridinyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H19FN6O2 — CID 67975955

IUPAC5-[6-(dimethylamino)-3-fluoro-2-pyridinyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN(C)c1ccc(F)c(N2CCn3nc(COc4ccccn4)cc3C2=O)n1
InChIInChI=1S/C19H19FN6O2/c1-24(2)16-7-6-14(20)18(22-16)25-9-10-26-15(19(25)27)11-13(23-26)12-28-17-5-3-4-8-21-17/h3-8,11H,9-10,12H2,1-2H3
InChIKeyIHTZZAKXSZZAJM-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.12
Rot. Bonds5

About 5-[6-(dimethylamino)-3-fluoro-2-pyridinyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[6-(dimethylamino)-3-fluoro-2-pyridinyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67975955) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 5-[6-(dimethylamino)-3-fluoro-2-pyridinyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[6-(dimethylamino)-3-fluoro-2-pyridinyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67975955
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name5-[6-(dimethylamino)-3-fluoro-2-pyridinyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN(C)c1ccc(F)c(N2CCn3nc(COc4ccccn4)cc3C2=O)n1
InChIInChI=1S/C19H19FN6O2/c1-24(2)16-7-6-14(20)18(22-16)25-9-10-26-15(19(25)27)11-13(23-26)12-28-17-5-3-4-8-21-17/h3-8,11H,9-10,12H2,1-2H3
InChIKeyIHTZZAKXSZZAJM-UHFFFAOYSA-N
XLogP2.12
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(dimethylamino)-3-fluoro-2-pyridinyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[6-(dimethylamino)-3-fluoro-2-pyridinyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67975955) is 5-[6-(dimethylamino)-3-fluoro-2-pyridinyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[6-(dimethylamino)-3-fluoro-2-pyridinyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[6-(dimethylamino)-3-fluoro-2-pyridinyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CN(C)c1ccc(F)c(N2CCn3nc(COc4ccccn4)cc3C2=O)n1.
What is the InChIKey of 5-[6-(dimethylamino)-3-fluoro-2-pyridinyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is IHTZZAKXSZZAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-24(2)16-7-6-14(20)18(22-16)25-9-10-26-15(19(25)27)11-13(23-26)12-28-17-5-3-4-8-21-17/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 5-[6-(dimethylamino)-3-fluoro-2-pyridinyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[6-(dimethylamino)-3-fluoro-2-pyridinyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 382.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(dimethylamino)-3-fluoro-2-pyridinyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67975955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).