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

C18H24ClN5O3S — CID 166483440

IUPAC4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridine
SMILESCC[C@@](C)(N=[N+]=[N-])c1cnc(O[C@H](C)C[C@@H](C)S(C)(=O)=O)c2cnc(Cl)cc12
InChIInChI=1S/C18H24ClN5O3S/c1-6-18(4,23-24-20)15-10-22-17(14-9-21-16(19)8-13(14)15)27-11(2)7-12(3)28(5,25)26/h8-12H,6-7H2,1-5H3/t11-,12-,18-/m1/s1
InChIKeyPMEIALQWFONVCL-SEDUGSJDSA-N
MW425.94 g/mol
LogP4.81
Rot. Bonds8

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

4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridine (PubChem CID 166483440) has the molecular formula C18H24ClN5O3S and a molecular weight of 425.94 g/mol. Its IUPAC name is 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridine.

Molecular Properties

Compound Name4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridine
PubChem CID166483440
Molecular FormulaC18H24ClN5O3S
Molecular Weight425.94 g/mol
Exact Mass425.13
IUPAC Name4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridine
SMILESCC[C@@](C)(N=[N+]=[N-])c1cnc(O[C@H](C)C[C@@H](C)S(C)(=O)=O)c2cnc(Cl)cc12
InChIInChI=1S/C18H24ClN5O3S/c1-6-18(4,23-24-20)15-10-22-17(14-9-21-16(19)8-13(14)15)27-11(2)7-12(3)28(5,25)26/h8-12H,6-7H2,1-5H3/t11-,12-,18-/m1/s1
InChIKeyPMEIALQWFONVCL-SEDUGSJDSA-N
XLogP4.81
TPSA117.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[(2R,4R)-4-[[4-[(2R)-2-azidobutan-2-yl]-6-chloro-2,7-naphthyridin-1-yl]oxy]pentan-2-yl]-imino-methyl-oxo-λ6-sulfane
CID 166484081
4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine
CID 175588985
[(4R)-4-[[4-[(2R)-2-azidobutan-2-yl]-6-chloro-2,7-naphthyridin-1-yl]oxy]-2-methylpentan-2-yl]-imino-methyl-oxo-λ6-sulfane
CID 166483556
4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine
CID 166483387
3-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridine
CID 176597300
4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridine;4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridine
CID 167612397
4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoro-4-methylsulfonylbutan-2-yl)oxy-2,7-naphthyridine
CID 166483984
4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine
CID 165380975
[3-[[4-(2-azidobutan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-cyclopropylmethanone
CID 167211971
4-(2-azido-1-methoxypropan-2-yl)-6-chloro-1-(3-ethylsulfonylcyclobutyl)oxy-2,7-naphthyridine
CID 175588992
4-(2-azidobutan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one
CID 175520197
4-(2-azidopropan-2-yl)-6-chloro-1-[1-(methylsulfonylmethyl)cyclobutyl]oxy-2,7-naphthyridine
CID 175588952

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridine?
The IUPAC name of 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridine (CID 166483440) is 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridine.
What is the SMILES notation for 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridine?
The canonical SMILES for 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridine is CC[C@@](C)(N=[N+]=[N-])c1cnc(O[C@H](C)C[C@@H](C)S(C)(=O)=O)c2cnc(Cl)cc12.
What is the InChIKey of 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridine?
The InChIKey is PMEIALQWFONVCL-SEDUGSJDSA-N. The full InChI is InChI=1S/C18H24ClN5O3S/c1-6-18(4,23-24-20)15-10-22-17(14-9-21-16(19)8-13(14)15)27-11(2)7-12(3)28(5,25)26/h8-12H,6-7H2,1-5H3/t11-,12-,18-/m1/s1.
What are the key properties of 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridine?
4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridine has a molecular weight of 425.94 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridine is sourced from PubChem (CID 166483440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).