7-(3-azabicyclo[3.2.0]heptan-3-yl)-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine

C45H36BrCl2F2N9O — CID 160775613

About 7-(3-azabicyclo[3.2.0]heptan-3-yl)-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-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;7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 160775613) has the molecular formula C45H36BrCl2F2N9O and a molecular weight of 907.65 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;7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-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;7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine
• PubChem CID: 160775613
• Molecular Formula: C45H36BrCl2F2N9O
• Molecular Weight: 907.65 g/mol
• Exact Mass: 905.16
• IUPAC Name: 7-(3-azabicyclo[3.2.0]heptan-3-yl)-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine
• SMILES: Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CC4CCC4C3)cc2n1.Fc1ccc(Cl)cc1-c1nn(C2CCCCO2)cc1-c1ccc2ncc(Br)cc2n1
• InChI: InChI=1S/C23H19ClFN5.C22H17BrClFN4O/c24-15-3-4-19(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;23-13-9-20-19(26-11-13)7-6-18(27-20)16-12-29(21-3-1-2-8-30-21)28-22(16)15-10-14(24)4-5-17(15)25/h3-10,13-14H,1-2,11-12H2,(H,27,29);4-7,9-12,21H,1-3,8H2
• InChIKey: RZXCIAAUDLKYMO-UHFFFAOYSA-N
• XLogP: 11.74
• TPSA: 110.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.65
LogP ≤ 5	11.74
H-Bond Donors ≤ 5	1
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;7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-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;7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine (CID 160775613) is 7-(3-azabicyclo[3.2.0]heptan-3-yl)-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-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;7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-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;7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine is Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CC4CCC4C3)cc2n1.Fc1ccc(Cl)cc1-c1nn(C2CCCCO2)cc1-c1ccc2ncc(Br)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;7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine?

The InChIKey is RZXCIAAUDLKYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5.C22H17BrClFN4O/c24-15-3-4-19(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;23-13-9-20-19(26-11-13)7-6-18(27-20)16-12-29(21-3-1-2-8-30-21)28-22(16)15-10-14(24)4-5-17(15)25/h3-10,13-14H,1-2,11-12H2,(H,27,29);4-7,9-12,21H,1-3,8H2.

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;7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-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;7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 907.65 g/mol, XLogP of 11.74, 6 rotatable bonds, 1 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;7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 160775613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).