4-(2-azidopropan-2-yl)-6-chloro-1-methylsulfanyl-2,7-naphthyridine

C12H12ClN5S — CID 169086425

IUPAC4-(2-azidopropan-2-yl)-6-chloro-1-methylsulfanyl-2,7-naphthyridine
SMILESCSc1ncc(C(C)(C)N=[N+]=[N-])c2cc(Cl)ncc12
InChIInChI=1S/C12H12ClN5S/c1-12(2,17-18-14)9-6-16-11(19-3)8-5-15-10(13)4-7(8)9/h4-6H,1-3H3
InChIKeyOESLDWGLUWBCOP-UHFFFAOYSA-N
MW293.78 g/mol
LogP4.55
Rot. Bonds3

About 4-(2-azidopropan-2-yl)-6-chloro-1-methylsulfanyl-2,7-naphthyridine

4-(2-azidopropan-2-yl)-6-chloro-1-methylsulfanyl-2,7-naphthyridine (PubChem CID 169086425) has the molecular formula C12H12ClN5S and a molecular weight of 293.78 g/mol. Its IUPAC name is 4-(2-azidopropan-2-yl)-6-chloro-1-methylsulfanyl-2,7-naphthyridine.

Molecular Properties

Compound Name4-(2-azidopropan-2-yl)-6-chloro-1-methylsulfanyl-2,7-naphthyridine
PubChem CID169086425
Molecular FormulaC12H12ClN5S
Molecular Weight293.78 g/mol
Exact Mass293.05
IUPAC Name4-(2-azidopropan-2-yl)-6-chloro-1-methylsulfanyl-2,7-naphthyridine
SMILESCSc1ncc(C(C)(C)N=[N+]=[N-])c2cc(Cl)ncc12
InChIInChI=1S/C12H12ClN5S/c1-12(2,17-18-14)9-6-16-11(19-3)8-5-15-10(13)4-7(8)9/h4-6H,1-3H3
InChIKeyOESLDWGLUWBCOP-UHFFFAOYSA-N
XLogP4.55
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 54.55
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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Related Compounds

4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine
CID 165380975
4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid
CID 165117429
4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine
CID 165381005
3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]-3-methylthietane 1,1-dioxide
CID 166484122
4-(2-azidopropan-2-yl)-6-chloro-1-[1-(methylsulfonylmethyl)cyclobutyl]oxy-2,7-naphthyridine
CID 175588952
[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-cyclopropylmethanone
CID 165117838
4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine
CID 165380906
1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine
CID 165381053
4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoro-4-methylsulfonylbutan-2-yl)oxy-2,7-naphthyridine
CID 166483984
[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 165117507
4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine
CID 175588985
4-(2-azidobutan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one
CID 175520197

Frequently Asked Questions

What is the IUPAC name of 4-(2-azidopropan-2-yl)-6-chloro-1-methylsulfanyl-2,7-naphthyridine?
The IUPAC name of 4-(2-azidopropan-2-yl)-6-chloro-1-methylsulfanyl-2,7-naphthyridine (CID 169086425) is 4-(2-azidopropan-2-yl)-6-chloro-1-methylsulfanyl-2,7-naphthyridine.
What is the SMILES notation for 4-(2-azidopropan-2-yl)-6-chloro-1-methylsulfanyl-2,7-naphthyridine?
The canonical SMILES for 4-(2-azidopropan-2-yl)-6-chloro-1-methylsulfanyl-2,7-naphthyridine is CSc1ncc(C(C)(C)N=[N+]=[N-])c2cc(Cl)ncc12.
What is the InChIKey of 4-(2-azidopropan-2-yl)-6-chloro-1-methylsulfanyl-2,7-naphthyridine?
The InChIKey is OESLDWGLUWBCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5S/c1-12(2,17-18-14)9-6-16-11(19-3)8-5-15-10(13)4-7(8)9/h4-6H,1-3H3.
What are the key properties of 4-(2-azidopropan-2-yl)-6-chloro-1-methylsulfanyl-2,7-naphthyridine?
4-(2-azidopropan-2-yl)-6-chloro-1-methylsulfanyl-2,7-naphthyridine has a molecular weight of 293.78 g/mol, XLogP of 4.55, 3 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-methylsulfanyl-2,7-naphthyridine is sourced from PubChem (CID 169086425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).