2-(3-chloro-4-fluorophenyl)-1-[3-(2-chloro-5-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[3-(4-chloro-5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C38H28Cl4F4N8O2 — CID 157461556

About 2-(3-chloro-4-fluorophenyl)-1-[3-(2-chloro-5-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[3-(4-chloro-5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

2-(3-chloro-4-fluorophenyl)-1-[3-(2-chloro-5-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[3-(4-chloro-5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 157461556) has the molecular formula C38H28Cl4F4N8O2 and a molecular weight of 846.50 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-[3-(2-chloro-5-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[3-(4-chloro-5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

• Compound Name: 2-(3-chloro-4-fluorophenyl)-1-[3-(2-chloro-5-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[3-(4-chloro-5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
• PubChem CID: 157461556
• Molecular Formula: C38H28Cl4F4N8O2
• Molecular Weight: 846.50 g/mol
• Exact Mass: 844.10
• IUPAC Name: 2-(3-chloro-4-fluorophenyl)-1-[3-(2-chloro-5-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[3-(4-chloro-5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
• SMILES: O=C(Cc1ccc(F)c(Cl)c1)N1CCn2ncc(-c3cc(Cl)c(F)cn3)c2C1.O=C(Cc1ccc(F)c(Cl)c1)N1CCn2ncc(-c3cc(Cl)ncc3F)c2C1
• InChI: InChI=1S/2C19H14Cl2F2N4O/c20-13-5-11(1-2-15(13)22)6-19(28)26-3-4-27-18(10-26)12(8-25-27)17-7-14(21)16(23)9-24-17;20-14-5-11(1-2-15(14)22)6-19(28)26-3-4-27-17(10-26)13(8-25-27)12-7-18(21)24-9-16(12)23/h2*1-2,5,7-9H,3-4,6,10H2
• InChIKey: BTZGUPBWKZWHJL-UHFFFAOYSA-N
• XLogP: 8.23
• TPSA: 102.04 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	846.50
LogP ≤ 5	8.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-[3-(2-chloro-5-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[3-(4-chloro-5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?

The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-[3-(2-chloro-5-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[3-(4-chloro-5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 157461556) is 2-(3-chloro-4-fluorophenyl)-1-[3-(2-chloro-5-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[3-(4-chloro-5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-[3-(2-chloro-5-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[3-(4-chloro-5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?

The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-[3-(2-chloro-5-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[3-(4-chloro-5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is O=C(Cc1ccc(F)c(Cl)c1)N1CCn2ncc(-c3cc(Cl)c(F)cn3)c2C1.O=C(Cc1ccc(F)c(Cl)c1)N1CCn2ncc(-c3cc(Cl)ncc3F)c2C1.

What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-[3-(2-chloro-5-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[3-(4-chloro-5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?

The InChIKey is BTZGUPBWKZWHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H14Cl2F2N4O/c20-13-5-11(1-2-15(13)22)6-19(28)26-3-4-27-18(10-26)12(8-25-27)17-7-14(21)16(23)9-24-17;20-14-5-11(1-2-15(14)22)6-19(28)26-3-4-27-17(10-26)13(8-25-27)12-7-18(21)24-9-16(12)23/h2*1-2,5,7-9H,3-4,6,10H2.

What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-[3-(2-chloro-5-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[3-(4-chloro-5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?

2-(3-chloro-4-fluorophenyl)-1-[3-(2-chloro-5-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[3-(4-chloro-5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 846.50 g/mol, XLogP of 8.23, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-fluorophenyl)-1-[3-(2-chloro-5-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[3-(4-chloro-5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 157461556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).