[(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

C19H27ClN6O2S — CID 166483556

IUPAC[(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
SMILES[H]N=[S@@](C)(=O)C(C)(C)C[C@@H](C)Oc1ncc([C@@](C)(CC)N=[N+]=[N-])c2cc(Cl)ncc12
InChIInChI=1S/C19H27ClN6O2S/c1-7-19(5,25-26-21)15-11-24-17(14-10-23-16(20)8-13(14)15)28-12(2)9-18(3,4)29(6,22)27/h8,10-12,22H,7,9H2,1-6H3/t12-,19-,29+/m1/s1
InChIKeyAJPPLFZZWQZFDN-SYJRANSYSA-N
MW438.99 g/mol
LogP5.83
Rot. Bonds8

About [(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

[(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 (PubChem CID 166483556) has the molecular formula C19H27ClN6O2S and a molecular weight of 438.99 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID166483556
Molecular FormulaC19H27ClN6O2S
Molecular Weight438.99 g/mol
Exact Mass438.16
IUPAC Name[(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
SMILES[H]N=[S@@](C)(=O)C(C)(C)C[C@@H](C)Oc1ncc([C@@](C)(CC)N=[N+]=[N-])c2cc(Cl)ncc12
InChIInChI=1S/C19H27ClN6O2S/c1-7-19(5,25-26-21)15-11-24-17(14-10-23-16(20)8-13(14)15)28-12(2)9-18(3,4)29(6,22)27/h8,10-12,22H,7,9H2,1-6H3/t12-,19-,29+/m1/s1
InChIKeyAJPPLFZZWQZFDN-SYJRANSYSA-N
XLogP5.83
TPSA124.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.99
LogP ≤ 55.83
H-Bond Donors ≤ 51
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'}

Analyze [(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(2R)-2-azidobutan-2-yl]-6-chloro-1-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridine
CID 166483440
4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine
CID 175588985
4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine
CID 166483387
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
[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-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine
CID 165380975
4-(2-azidobutan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one
CID 175520197
3-[(2R)-2-azidopentan-2-yl]-6-chloro-1-[(2R)-4-methylsulfonylbutan-2-yl]oxy-2,7-naphthyridine
CID 176597308
4-[(1S)-1-azido-1-cyclopropylethyl]-6-chloro-1-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridine
CID 166483456

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is [H]N=[S@@](C)(=O)C(C)(C)C[C@@H](C)Oc1ncc([C@@](C)(CC)N=[N+]=[N-])c2cc(Cl)ncc12.
What is the InChIKey of [(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?
The InChIKey is AJPPLFZZWQZFDN-SYJRANSYSA-N. The full InChI is InChI=1S/C19H27ClN6O2S/c1-7-19(5,25-26-21)15-11-24-17(14-10-23-16(20)8-13(14)15)28-12(2)9-18(3,4)29(6,22)27/h8,10-12,22H,7,9H2,1-6H3/t12-,19-,29+/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 438.99 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 166483556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).