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

C19H16ClFN4O2 — CID 122190393

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

(7R)-5-(4-chlorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 122190393) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is (7R)-5-(4-chlorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7R)-5-(4-chlorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 122190393
• Molecular Formula: C19H16ClFN4O2
• Molecular Weight: 386.81 g/mol
• Exact Mass: 386.09
• IUPAC Name: (7R)-5-(4-chlorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)c2cc(COc3ccc(F)cn3)nn21
• InChI: InChI=1S/C19H16ClFN4O2/c1-12-10-24(16-5-2-13(20)3-6-16)19(26)17-8-15(23-25(12)17)11-27-18-7-4-14(21)9-22-18/h2-9,12H,10-11H2,1H3/t12-/m1/s1
• InChIKey: BGUIRBNHGKTOPB-GFCCVEGCSA-N
• XLogP: 3.87
• 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	386.81
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (7R)-5-(4-chlorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 122190393) is (7R)-5-(4-chlorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

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

The canonical SMILES for (7R)-5-(4-chlorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)c2cc(COc3ccc(F)cn3)nn21.

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

The InChIKey is BGUIRBNHGKTOPB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-12-10-24(16-5-2-13(20)3-6-16)19(26)17-8-15(23-25(12)17)11-27-18-7-4-14(21)9-22-18/h2-9,12H,10-11H2,1H3/t12-/m1/s1.

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

(7R)-5-(4-chlorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 386.81 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-5-(4-chlorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 122190393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).