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

C18H15ClFN5O2 — CID 122190433

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

(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 122190433) has the molecular formula C18H15ClFN5O2 and a molecular weight of 387.80 g/mol. Its IUPAC name is (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 122190433
• Molecular Formula: C18H15ClFN5O2
• Molecular Weight: 387.80 g/mol
• Exact Mass: 387.09
• IUPAC Name: (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: C[C@@H]1CN(c2cccnc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21
• InChI: InChI=1S/C18H15ClFN5O2/c1-11-9-24(14-3-2-6-21-17(14)20)18(26)15-7-13(23-25(11)15)10-27-16-5-4-12(19)8-22-16/h2-8,11H,9-10H2,1H3/t11-/m1/s1
• InChIKey: RXRVCJFGSOVYLG-LLVKDONJSA-N
• XLogP: 3.27
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.80
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 122190433) is (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

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

The canonical SMILES for (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@@H]1CN(c2cccnc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21.

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

The InChIKey is RXRVCJFGSOVYLG-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15ClFN5O2/c1-11-9-24(14-3-2-6-21-17(14)20)18(26)15-7-13(23-25(11)15)10-27-16-5-4-12(19)8-22-16/h2-8,11H,9-10H2,1H3/t11-/m1/s1.

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

(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 387.80 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 122190433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).