4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine

C19H24ClN5OS — CID 166483387

About 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine

4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine (PubChem CID 166483387) has the molecular formula C19H24ClN5OS and a molecular weight of 405.96 g/mol. Its IUPAC name is 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine.

Molecular Properties

• Compound Name: 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine
• PubChem CID: 166483387
• Molecular Formula: C19H24ClN5OS
• Molecular Weight: 405.96 g/mol
• Exact Mass: 405.14
• IUPAC Name: 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine
• SMILES: CC[C@@](C)(N=[N+]=[N-])c1cnc(OC(C)CCSC2CC2)c2cnc(Cl)cc12
• InChI: InChI=1S/C19H24ClN5OS/c1-4-19(3,24-25-21)16-11-23-18(15-10-22-17(20)9-14(15)16)26-12(2)7-8-27-13-5-6-13/h9-13H,4-8H2,1-3H3/t12?,19-/m1/s1
• InChIKey: XXHJCDCMOKGLCR-FKWGRNQDSA-N
• XLogP: 6.27
• TPSA: 83.77 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.96
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine?

The IUPAC name of 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine (CID 166483387) is 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine.

What is the SMILES notation for 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine?

The canonical SMILES for 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine is CC[C@@](C)(N=[N+]=[N-])c1cnc(OC(C)CCSC2CC2)c2cnc(Cl)cc12.

What is the InChIKey of 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine?

The InChIKey is XXHJCDCMOKGLCR-FKWGRNQDSA-N. The full InChI is InChI=1S/C19H24ClN5OS/c1-4-19(3,24-25-21)16-11-23-18(15-10-22-17(20)9-14(15)16)26-12(2)7-8-27-13-5-6-13/h9-13H,4-8H2,1-3H3/t12?,19-/m1/s1.

What are the key properties of 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine?

4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine has a molecular weight of 405.96 g/mol, XLogP of 6.27, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine is sourced from PubChem (CID 166483387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).