7-(3-azabicyclo[3.2.0]heptan-3-yl)-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-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

C48H43Cl2F2N11 — CID 158097083

About 7-(3-azabicyclo[3.2.0]heptan-3-yl)-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-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

7-(3-azabicyclo[3.2.0]heptan-3-yl)-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-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 158097083) has the molecular formula C48H43Cl2F2N11 and a molecular weight of 882.85 g/mol. Its IUPAC name is 7-(3-azabicyclo[3.2.0]heptan-3-yl)-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-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.

Molecular Properties

• Compound Name: 7-(3-azabicyclo[3.2.0]heptan-3-yl)-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-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: 158097083
• Molecular Formula: C48H43Cl2F2N11
• Molecular Weight: 882.85 g/mol
• Exact Mass: 881.30
• IUPAC Name: 7-(3-azabicyclo[3.2.0]heptan-3-yl)-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-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
• SMILES: CC(C)N1CC2CN(c3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)CC21.Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CC4CCC4C3)cc2n1
• InChI: InChI=1S/C25H24ClFN6.C23H19ClFN5/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;24-15-3-4-19(25)17(7-15)23-18(10-27-29-23)20-5-6-21-22(28-20)8-16(9-26-21)30-11-13-1-2-14(13)12-30/h3-10,14-15,24H,11-13H2,1-2H3,(H,29,31);3-10,13-14H,1-2,11-12H2,(H,27,29)
• InChIKey: FOULXLMLIXCKRG-UHFFFAOYSA-N
• XLogP: 10.33
• TPSA: 118.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.85
LogP ≤ 5	10.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 7-(3-azabicyclo[3.2.0]heptan-3-yl)-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-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 (CID 158097083) is 7-(3-azabicyclo[3.2.0]heptan-3-yl)-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-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.

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

The canonical SMILES for 7-(3-azabicyclo[3.2.0]heptan-3-yl)-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-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 is CC(C)N1CC2CN(c3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)CC21.Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CC4CCC4C3)cc2n1.

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

The InChIKey is FOULXLMLIXCKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN6.C23H19ClFN5/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;24-15-3-4-19(25)17(7-15)23-18(10-27-29-23)20-5-6-21-22(28-20)8-16(9-26-21)30-11-13-1-2-14(13)12-30/h3-10,14-15,24H,11-13H2,1-2H3,(H,29,31);3-10,13-14H,1-2,11-12H2,(H,27,29).

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

7-(3-azabicyclo[3.2.0]heptan-3-yl)-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-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 882.85 g/mol, XLogP of 10.33, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-azabicyclo[3.2.0]heptan-3-yl)-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-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 is sourced from PubChem (CID 158097083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).