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

C32H36Cl2N10O2 — CID 167612397

IUPAC4-[(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
SMILESCC[C@@](C)(N=[N+]=[N-])c1cnc(OC2(C)CC2)c2cnc(Cl)cc12.CC[C@](C)(N=[N+]=[N-])c1cnc(OC2(C)CC2)c2cnc(Cl)cc12
InChIInChI=1S/2C16H18ClN5O/c2*1-4-16(3,21-22-18)12-9-20-14(23-15(2)5-6-15)11-8-19-13(17)7-10(11)12/h2*7-9H,4-6H2,1-3H3/t2*16-/m10/s1
InChIKeyLGADZAYDWCJSGP-RRHAQCGESA-N
MW663.61 g/mol
LogP10.30
Rot. Bonds10

About 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

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 (PubChem CID 167612397) has the molecular formula C32H36Cl2N10O2 and a molecular weight of 663.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID167612397
Molecular FormulaC32H36Cl2N10O2
Molecular Weight663.61 g/mol
Exact Mass662.24
IUPAC Name4-[(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
SMILESCC[C@@](C)(N=[N+]=[N-])c1cnc(OC2(C)CC2)c2cnc(Cl)cc12.CC[C@](C)(N=[N+]=[N-])c1cnc(OC2(C)CC2)c2cnc(Cl)cc12
InChIInChI=1S/2C16H18ClN5O/c2*1-4-16(3,21-22-18)12-9-20-14(23-15(2)5-6-15)11-8-19-13(17)7-10(11)12/h2*7-9H,4-6H2,1-3H3/t2*16-/m10/s1
InChIKeyLGADZAYDWCJSGP-RRHAQCGESA-N
XLogP10.30
TPSA167.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.61
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 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 with MolForge

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Related Compounds

(2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine
CID 167261605
4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-[(2S)-4-methylpentan-2-yl]oxy-2,7-naphthyridine
CID 175588985
3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]-3-methylthietane 1,1-dioxide
CID 166484122
4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(4-cyclopropylsulfanylbutan-2-yloxy)-2,7-naphthyridine
CID 166483387
[(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-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridine
CID 166483440
[3-[[4-(2-azidobutan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-cyclopropylmethanone
CID 167211971
[(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-(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
4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-1-methyl-2,7-naphthyridine
CID 165380906
2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine
CID 166663963

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@@](C)(N=[N+]=[N-])c1cnc(OC2(C)CC2)c2cnc(Cl)cc12.CC[C@](C)(N=[N+]=[N-])c1cnc(OC2(C)CC2)c2cnc(Cl)cc12.
What is the InChIKey of 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?
The InChIKey is LGADZAYDWCJSGP-RRHAQCGESA-N. The full InChI is InChI=1S/2C16H18ClN5O/c2*1-4-16(3,21-22-18)12-9-20-14(23-15(2)5-6-15)11-8-19-13(17)7-10(11)12/h2*7-9H,4-6H2,1-3H3/t2*16-/m10/s1.
What are the key properties of 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?
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 has a molecular weight of 663.61 g/mol, XLogP of 10.30, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167612397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).