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

C20H19FN4O2 — CID 67974479

IUPAC(6R)-5-(5-fluoro-4-methyl-2-pyridinyl)-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(N2C(=O)c3cc(COc4ccccc4)nn3C[C@H]2C)ncc1F
InChIInChI=1S/C20H19FN4O2/c1-13-8-19(22-10-17(13)21)25-14(2)11-24-18(20(25)26)9-15(23-24)12-27-16-6-4-3-5-7-16/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyDEIGGGXOYXEVQA-CQSZACIVSA-N
MW366.40 g/mol
LogP3.35
Rot. Bonds4

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

(6R)-5-(5-fluoro-4-methyl-2-pyridinyl)-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67974479) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is (6R)-5-(5-fluoro-4-methyl-2-pyridinyl)-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(6R)-5-(5-fluoro-4-methyl-2-pyridinyl)-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67974479
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name(6R)-5-(5-fluoro-4-methyl-2-pyridinyl)-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(N2C(=O)c3cc(COc4ccccc4)nn3C[C@H]2C)ncc1F
InChIInChI=1S/C20H19FN4O2/c1-13-8-19(22-10-17(13)21)25-14(2)11-24-18(20(25)26)9-15(23-24)12-27-16-6-4-3-5-7-16/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyDEIGGGXOYXEVQA-CQSZACIVSA-N
XLogP3.35
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-Methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973635
5-(4-fluorophenyl)-2-(pyridin-2-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 67973779
5-(5-Methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974348
5-(5-fluoropyridin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 67974411
5-(5-Fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974471
2-(Phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974497
5-(4-Fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67976002
2-[(3-Fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 70654545
1-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-4-pyridin-2-ylpiperazine
CID 16187231
[1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 76321786
N,N-diethyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide
CID 76328955
[1-Methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 76332629

Frequently Asked Questions

What is the IUPAC name of (6R)-5-(5-fluoro-4-methyl-2-pyridinyl)-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (6R)-5-(5-fluoro-4-methyl-2-pyridinyl)-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67974479) is (6R)-5-(5-fluoro-4-methyl-2-pyridinyl)-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (6R)-5-(5-fluoro-4-methyl-2-pyridinyl)-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (6R)-5-(5-fluoro-4-methyl-2-pyridinyl)-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cc(N2C(=O)c3cc(COc4ccccc4)nn3C[C@H]2C)ncc1F.
What is the InChIKey of (6R)-5-(5-fluoro-4-methyl-2-pyridinyl)-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DEIGGGXOYXEVQA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-13-8-19(22-10-17(13)21)25-14(2)11-24-18(20(25)26)9-15(23-24)12-27-16-6-4-3-5-7-16/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (6R)-5-(5-fluoro-4-methyl-2-pyridinyl)-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(6R)-5-(5-fluoro-4-methyl-2-pyridinyl)-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 366.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-(5-fluoro-4-methyl-2-pyridinyl)-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67974479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).