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

C20H19FN4O2 — CID 123800858

IUPAC(7R)-5-(5-fluoro-6-methyl-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1nc(N2C[C@@H](C)n3nc(COc4ccccc4)cc3C2=O)ccc1F
InChIInChI=1S/C20H19FN4O2/c1-13-11-24(19-9-8-17(21)14(2)22-19)20(26)18-10-15(23-25(13)18)12-27-16-6-4-3-5-7-16/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyKJTBXNHNXNBLPI-CYBMUJFWSA-N
MW366.40 g/mol
LogP3.53
Rot. Bonds4

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

(7R)-5-(5-fluoro-6-methyl-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 123800858) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is (7R)-5-(5-fluoro-6-methyl-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-5-(5-fluoro-6-methyl-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID123800858
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name(7R)-5-(5-fluoro-6-methyl-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1nc(N2C[C@@H](C)n3nc(COc4ccccc4)cc3C2=O)ccc1F
InChIInChI=1S/C20H19FN4O2/c1-13-11-24(19-9-8-17(21)14(2)22-19)20(26)18-10-15(23-25(13)18)12-27-16-6-4-3-5-7-16/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyKJTBXNHNXNBLPI-CYBMUJFWSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-5-(5-fluoro-6-methyl-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-5-(5-fluoro-6-methyl-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 123800858) is (7R)-5-(5-fluoro-6-methyl-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-5-(5-fluoro-6-methyl-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-5-(5-fluoro-6-methyl-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1nc(N2C[C@@H](C)n3nc(COc4ccccc4)cc3C2=O)ccc1F.
What is the InChIKey of (7R)-5-(5-fluoro-6-methyl-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KJTBXNHNXNBLPI-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-13-11-24(19-9-8-17(21)14(2)22-19)20(26)18-10-15(23-25(13)18)12-27-16-6-4-3-5-7-16/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (7R)-5-(5-fluoro-6-methyl-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7R)-5-(5-fluoro-6-methyl-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 366.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(5-fluoro-6-methyl-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 123800858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).