[3-[[6-chloro-4-[(2R)-1-methoxypropan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone

C19H21ClFN3O3 — CID 165117520

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

[3-[[6-chloro-4-[(2R)-1-methoxypropan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone (PubChem CID 165117520) has the molecular formula C19H21ClFN3O3 and a molecular weight of 393.85 g/mol. Its IUPAC name is [3-[[6-chloro-4-[(2R)-1-methoxypropan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone.

Molecular Properties

• Compound Name: [3-[[6-chloro-4-[(2R)-1-methoxypropan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone
• PubChem CID: 165117520
• Molecular Formula: C19H21ClFN3O3
• Molecular Weight: 393.85 g/mol
• Exact Mass: 393.13
• IUPAC Name: [3-[[6-chloro-4-[(2R)-1-methoxypropan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone
• SMILES: COC[C@H](C)c1cnc(OC2CN(C(=O)[C@H]3C[C@H]3F)C2)c2cnc(Cl)cc12
• InChI: InChI=1S/C19H21ClFN3O3/c1-10(9-26-2)14-5-23-18(15-6-22-17(20)4-12(14)15)27-11-7-24(8-11)19(25)13-3-16(13)21/h4-6,10-11,13,16H,3,7-9H2,1-2H3/t10-,13-,16+/m0/s1
• InChIKey: UUQAMPVIJCSUOF-YNZJMPHRSA-N
• XLogP: 2.98
• TPSA: 64.55 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.85
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-[(2R)-1-methoxypropan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone?

The IUPAC name of [3-[[6-chloro-4-[(2R)-1-methoxypropan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone (CID 165117520) is [3-[[6-chloro-4-[(2R)-1-methoxypropan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone.

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

The canonical SMILES for [3-[[6-chloro-4-[(2R)-1-methoxypropan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone is COC[C@H](C)c1cnc(OC2CN(C(=O)[C@H]3C[C@H]3F)C2)c2cnc(Cl)cc12.

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

The InChIKey is UUQAMPVIJCSUOF-YNZJMPHRSA-N. The full InChI is InChI=1S/C19H21ClFN3O3/c1-10(9-26-2)14-5-23-18(15-6-22-17(20)4-12(14)15)27-11-7-24(8-11)19(25)13-3-16(13)21/h4-6,10-11,13,16H,3,7-9H2,1-2H3/t10-,13-,16+/m0/s1.

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

[3-[[6-chloro-4-[(2R)-1-methoxypropan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone has a molecular weight of 393.85 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[6-chloro-4-[(2R)-1-methoxypropan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone is sourced from PubChem (CID 165117520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).