2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine

C25H24ClFN6 — CID 146661765

About 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine

2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine (PubChem CID 146661765) has the molecular formula C25H24ClFN6 and a molecular weight of 462.96 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine.

Molecular Properties

• Compound Name: 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine
• PubChem CID: 146661765
• Molecular Formula: C25H24ClFN6
• Molecular Weight: 462.96 g/mol
• Exact Mass: 462.17
• IUPAC Name: 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine
• SMILES: CC(C)N1CC2CN(c3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)CC21
• InChI: InChI=1S/C25H24ClFN6/c1-14(2)33-12-15-11-32(13-24(15)33)17-8-23-22(28-9-17)6-5-21(30-23)19-10-29-31-25(19)18-7-16(26)3-4-20(18)27/h3-10,14-15,24H,11-13H2,1-2H3,(H,29,31)
• InChIKey: RSNZMLMQXCZMBK-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 60.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.96
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine?

The IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine (CID 146661765) is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine.

What is the SMILES notation for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine?

The canonical SMILES for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine is CC(C)N1CC2CN(c3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)CC21.

What is the InChIKey of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine?

The InChIKey is RSNZMLMQXCZMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN6/c1-14(2)33-12-15-11-32(13-24(15)33)17-8-23-22(28-9-17)6-5-21(30-23)19-10-29-31-25(19)18-7-16(26)3-4-20(18)27/h3-10,14-15,24H,11-13H2,1-2H3,(H,29,31).

What are the key properties of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine?

2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine has a molecular weight of 462.96 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine is sourced from PubChem (CID 146661765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).