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

C19H17FN4O2 — CID 123378023

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

(7S)-5-(5-fluoro-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 123378023) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is (7S)-5-(5-fluoro-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7S)-5-(5-fluoro-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 123378023
• Molecular Formula: C19H17FN4O2
• Molecular Weight: 352.37 g/mol
• Exact Mass: 352.13
• IUPAC Name: (7S)-5-(5-fluoro-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: C[C@H]1CN(c2ccc(F)cn2)C(=O)c2cc(COc3ccccc3)nn21
• InChI: InChI=1S/C19H17FN4O2/c1-13-11-23(18-8-7-14(20)10-21-18)19(25)17-9-15(22-24(13)17)12-26-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3/t13-/m0/s1
• InChIKey: ZWVNOEYNEWTFJM-ZDUSSCGKSA-N
• XLogP: 3.22
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.37
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7S)-5-(5-fluoro-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of (7S)-5-(5-fluoro-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 123378023) is (7S)-5-(5-fluoro-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for (7S)-5-(5-fluoro-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for (7S)-5-(5-fluoro-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@H]1CN(c2ccc(F)cn2)C(=O)c2cc(COc3ccccc3)nn21.

What is the InChIKey of (7S)-5-(5-fluoro-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is ZWVNOEYNEWTFJM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-13-11-23(18-8-7-14(20)10-21-18)19(25)17-9-15(22-24(13)17)12-26-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3/t13-/m0/s1.

What are the key properties of (7S)-5-(5-fluoro-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

(7S)-5-(5-fluoro-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 352.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-5-(5-fluoro-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 123378023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).