4-(2-azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine

C15H15ClFN5O — CID 165380882

IUPAC4-(2-azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine
SMILESCC(C)(N=[N+]=[N-])c1cnc(OC2CC(F)C2)c2cnc(Cl)cc12
InChIInChI=1S/C15H15ClFN5O/c1-15(2,21-22-18)12-7-20-14(23-9-3-8(17)4-9)11-6-19-13(16)5-10(11)12/h5-9H,3-4H2,1-2H3
InChIKeyUEMQEGWGPCBKPU-UHFFFAOYSA-N
MW335.77 g/mol
LogP4.71
Rot. Bonds4

About 4-(2-azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine

4-(2-azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine (PubChem CID 165380882) has the molecular formula C15H15ClFN5O and a molecular weight of 335.77 g/mol. Its IUPAC name is 4-(2-azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine.

Molecular Properties

Compound Name4-(2-azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine
PubChem CID165380882
Molecular FormulaC15H15ClFN5O
Molecular Weight335.77 g/mol
Exact Mass335.09
IUPAC Name4-(2-azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine
SMILESCC(C)(N=[N+]=[N-])c1cnc(OC2CC(F)C2)c2cnc(Cl)cc12
InChIInChI=1S/C15H15ClFN5O/c1-15(2,21-22-18)12-7-20-14(23-9-3-8(17)4-9)11-6-19-13(16)5-10(11)12/h5-9H,3-4H2,1-2H3
InChIKeyUEMQEGWGPCBKPU-UHFFFAOYSA-N
XLogP4.71
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine?
The IUPAC name of 4-(2-azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine (CID 165380882) is 4-(2-azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine.
What is the SMILES notation for 4-(2-azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine?
The canonical SMILES for 4-(2-azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine is CC(C)(N=[N+]=[N-])c1cnc(OC2CC(F)C2)c2cnc(Cl)cc12.
What is the InChIKey of 4-(2-azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine?
The InChIKey is UEMQEGWGPCBKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN5O/c1-15(2,21-22-18)12-7-20-14(23-9-3-8(17)4-9)11-6-19-13(16)5-10(11)12/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-(2-azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine?
4-(2-azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine has a molecular weight of 335.77 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine is sourced from PubChem (CID 165380882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).