(7R)-7-[(2,5-difluorophenyl)methylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C20H18F2N4O2 — CID 125128702

About (7R)-7-[(2,5-difluorophenyl)methylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

(7R)-7-[(2,5-difluorophenyl)methylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 125128702) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is (7R)-7-[(2,5-difluorophenyl)methylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7R)-7-[(2,5-difluorophenyl)methylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 125128702
• Molecular Formula: C20H18F2N4O2
• Molecular Weight: 384.39 g/mol
• Exact Mass: 384.14
• IUPAC Name: (7R)-7-[(2,5-difluorophenyl)methylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: COc1cccc(-c2cc3n(n2)[C@@H](NCc2cc(F)ccc2F)CNC3=O)c1
• InChI: InChI=1S/C20H18F2N4O2/c1-28-15-4-2-3-12(8-15)17-9-18-20(27)24-11-19(26(18)25-17)23-10-13-7-14(21)5-6-16(13)22/h2-9,19,23H,10-11H2,1H3,(H,24,27)/t19-/m1/s1
• InChIKey: WKXOPXKXRSJDEO-LJQANCHMSA-N
• XLogP: 2.87
• TPSA: 68.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.39
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[(2,5-difluorophenyl)methylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of (7R)-7-[(2,5-difluorophenyl)methylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 125128702) is (7R)-7-[(2,5-difluorophenyl)methylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for (7R)-7-[(2,5-difluorophenyl)methylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for (7R)-7-[(2,5-difluorophenyl)methylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1cccc(-c2cc3n(n2)[C@@H](NCc2cc(F)ccc2F)CNC3=O)c1.

What is the InChIKey of (7R)-7-[(2,5-difluorophenyl)methylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is WKXOPXKXRSJDEO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-28-15-4-2-3-12(8-15)17-9-18-20(27)24-11-19(26(18)25-17)23-10-13-7-14(21)5-6-16(13)22/h2-9,19,23H,10-11H2,1H3,(H,24,27)/t19-/m1/s1.

What are the key properties of (7R)-7-[(2,5-difluorophenyl)methylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

(7R)-7-[(2,5-difluorophenyl)methylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 384.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-[(2,5-difluorophenyl)methylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125128702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).