[3-[[6-chloro-4-(2-methylprop-1-enyl)-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone

C19H19ClFN3O2 — CID 165117860

About [3-[[6-chloro-4-(2-methylprop-1-enyl)-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone

[3-[[6-chloro-4-(2-methylprop-1-enyl)-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone (PubChem CID 165117860) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is [3-[[6-chloro-4-(2-methylprop-1-enyl)-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone.

Molecular Properties

• Compound Name: [3-[[6-chloro-4-(2-methylprop-1-enyl)-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
• PubChem CID: 165117860
• Molecular Formula: C19H19ClFN3O2
• Molecular Weight: 375.83 g/mol
• Exact Mass: 375.11
• IUPAC Name: [3-[[6-chloro-4-(2-methylprop-1-enyl)-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
• SMILES: CC(C)=Cc1cnc(OC2CN(C(=O)[C@@H]3C[C@@H]3F)C2)c2cnc(Cl)cc12
• InChI: InChI=1S/C19H19ClFN3O2/c1-10(2)3-11-6-23-18(15-7-22-17(20)5-13(11)15)26-12-8-24(9-12)19(25)14-4-16(14)21/h3,5-7,12,14,16H,4,8-9H2,1-2H3/t14-,16+/m1/s1
• InChIKey: OZNSQAWQBNGPLX-ZBFHGGJFSA-N
• XLogP: 3.65
• TPSA: 55.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.83
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[[6-chloro-4-(2-methylprop-1-enyl)-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?

The IUPAC name of [3-[[6-chloro-4-(2-methylprop-1-enyl)-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone (CID 165117860) is [3-[[6-chloro-4-(2-methylprop-1-enyl)-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone.

What is the SMILES notation for [3-[[6-chloro-4-(2-methylprop-1-enyl)-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?

The canonical SMILES for [3-[[6-chloro-4-(2-methylprop-1-enyl)-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone is CC(C)=Cc1cnc(OC2CN(C(=O)[C@@H]3C[C@@H]3F)C2)c2cnc(Cl)cc12.

What is the InChIKey of [3-[[6-chloro-4-(2-methylprop-1-enyl)-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?

The InChIKey is OZNSQAWQBNGPLX-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c1-10(2)3-11-6-23-18(15-7-22-17(20)5-13(11)15)26-12-8-24(9-12)19(25)14-4-16(14)21/h3,5-7,12,14,16H,4,8-9H2,1-2H3/t14-,16+/m1/s1.

What are the key properties of [3-[[6-chloro-4-(2-methylprop-1-enyl)-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?

[3-[[6-chloro-4-(2-methylprop-1-enyl)-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone has a molecular weight of 375.83 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[6-chloro-4-(2-methylprop-1-enyl)-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone is sourced from PubChem (CID 165117860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).