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

C15H14ClF2N5O — CID 165381107

IUPAC4-(2-azidopropan-2-yl)-6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridine
SMILESCC(C)(N=[N+]=[N-])c1cnc(OC2CC(F)(F)C2)c2cnc(Cl)cc12
InChIInChI=1S/C15H14ClF2N5O/c1-14(2,22-23-19)11-7-21-13(24-8-4-15(17,18)5-8)10-6-20-12(16)3-9(10)11/h3,6-8H,4-5H2,1-2H3
InChIKeyIPGXKHMUTMGUBK-UHFFFAOYSA-N
MW353.76 g/mol
LogP5.01
Rot. Bonds4

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

4-(2-azidopropan-2-yl)-6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridine (PubChem CID 165381107) has the molecular formula C15H14ClF2N5O and a molecular weight of 353.76 g/mol. Its IUPAC name is 4-(2-azidopropan-2-yl)-6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridine.

Molecular Properties

Compound Name4-(2-azidopropan-2-yl)-6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridine
PubChem CID165381107
Molecular FormulaC15H14ClF2N5O
Molecular Weight353.76 g/mol
Exact Mass353.09
IUPAC Name4-(2-azidopropan-2-yl)-6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridine
SMILESCC(C)(N=[N+]=[N-])c1cnc(OC2CC(F)(F)C2)c2cnc(Cl)cc12
InChIInChI=1S/C15H14ClF2N5O/c1-14(2,22-23-19)11-7-21-13(24-8-4-15(17,18)5-8)10-6-20-12(16)3-9(10)11/h3,6-8H,4-5H2,1-2H3
InChIKeyIPGXKHMUTMGUBK-UHFFFAOYSA-N
XLogP5.01
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.76
LogP ≤ 55.01
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-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridine?
The IUPAC name of 4-(2-azidopropan-2-yl)-6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridine (CID 165381107) is 4-(2-azidopropan-2-yl)-6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridine.
What is the SMILES notation for 4-(2-azidopropan-2-yl)-6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridine?
The canonical SMILES for 4-(2-azidopropan-2-yl)-6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridine is CC(C)(N=[N+]=[N-])c1cnc(OC2CC(F)(F)C2)c2cnc(Cl)cc12.
What is the InChIKey of 4-(2-azidopropan-2-yl)-6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridine?
The InChIKey is IPGXKHMUTMGUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N5O/c1-14(2,22-23-19)11-7-21-13(24-8-4-15(17,18)5-8)10-6-20-12(16)3-9(10)11/h3,6-8H,4-5H2,1-2H3.
What are the key properties of 4-(2-azidopropan-2-yl)-6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridine?
4-(2-azidopropan-2-yl)-6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridine has a molecular weight of 353.76 g/mol, XLogP of 5.01, 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-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridine is sourced from PubChem (CID 165381107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).