4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine

C18H24ClN5O — CID 175588985

About 4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine

4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine (PubChem CID 175588985) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine.

Molecular Properties

• Compound Name: 4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine
• PubChem CID: 175588985
• Molecular Formula: C18H24ClN5O
• Molecular Weight: 361.88 g/mol
• Exact Mass: 361.17
• IUPAC Name: 4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine
• SMILES: CC[C@](C)(N=[N+]=[N-])c1cnc(O[C@@H](C)CC(C)C)c2cnc(Cl)cc12
• InChI: InChI=1S/C18H24ClN5O/c1-6-18(5,23-24-20)15-10-22-17(25-12(4)7-11(2)3)14-9-21-16(19)8-13(14)15/h8-12H,6-7H2,1-5H3/t12-,18-/m0/s1
• InChIKey: APEZVXQFKZFHAO-SGTLLEGYSA-N
• XLogP: 6.03
• TPSA: 83.77 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	361.88
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine?

The IUPAC name of 4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine (CID 175588985) is 4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine.

What is the SMILES notation for 4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine?

The canonical SMILES for 4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine is CC[C@](C)(N=[N+]=[N-])c1cnc(O[C@@H](C)CC(C)C)c2cnc(Cl)cc12.

What is the InChIKey of 4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine?

The InChIKey is APEZVXQFKZFHAO-SGTLLEGYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-6-18(5,23-24-20)15-10-22-17(25-12(4)7-11(2)3)14-9-21-16(19)8-13(14)15/h8-12H,6-7H2,1-5H3/t12-,18-/m0/s1.

What are the key properties of 4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine?

4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine has a molecular weight of 361.88 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine is sourced from PubChem (CID 175588985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).