(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H19FN4O2 — CID 122190395

About (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 122190395) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 122190395
• Molecular Formula: C20H19FN4O2
• Molecular Weight: 366.40 g/mol
• Exact Mass: 366.15
• IUPAC Name: (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: Cc1cccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)c1
• InChI: InChI=1S/C20H19FN4O2/c1-13-4-3-5-17(8-13)24-11-14(2)25-18(20(24)26)9-16(23-25)12-27-19-7-6-15(21)10-22-19/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1
• InChIKey: FKKBESIUKQKYJF-CQSZACIVSA-N
• XLogP: 3.53
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.40
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 122190395) is (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)c1.

What is the InChIKey of (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is FKKBESIUKQKYJF-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-13-4-3-5-17(8-13)24-11-14(2)25-18(20(24)26)9-16(23-25)12-27-19-7-6-15(21)10-22-19/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1.

What are the key properties of (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-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)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 122190395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).