4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine

C15H16ClN5O2 — CID 165381005

IUPAC4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine
SMILESCC(C)(N=[N+]=[N-])c1cnc(O[C@H]2CCOC2)c2cnc(Cl)cc12
InChIInChI=1S/C15H16ClN5O2/c1-15(2,20-21-17)12-7-19-14(23-9-3-4-22-8-9)11-6-18-13(16)5-10(11)12/h5-7,9H,3-4,8H2,1-2H3/t9-/m0/s1
InChIKeyHNVRPVRQYUFLGD-VIFPVBQESA-N
MW333.78 g/mol
LogP4.00
Rot. Bonds4

About 4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine

4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine (PubChem CID 165381005) has the molecular formula C15H16ClN5O2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine.

Molecular Properties

Compound Name4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine
PubChem CID165381005
Molecular FormulaC15H16ClN5O2
Molecular Weight333.78 g/mol
Exact Mass333.10
IUPAC Name4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine
SMILESCC(C)(N=[N+]=[N-])c1cnc(O[C@H]2CCOC2)c2cnc(Cl)cc12
InChIInChI=1S/C15H16ClN5O2/c1-15(2,20-21-17)12-7-19-14(23-9-3-4-22-8-9)11-6-18-13(16)5-10(11)12/h5-7,9H,3-4,8H2,1-2H3/t9-/m0/s1
InChIKeyHNVRPVRQYUFLGD-VIFPVBQESA-N
XLogP4.00
TPSA93.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine?
The IUPAC name of 4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine (CID 165381005) is 4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine.
What is the SMILES notation for 4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine?
The canonical SMILES for 4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine is CC(C)(N=[N+]=[N-])c1cnc(O[C@H]2CCOC2)c2cnc(Cl)cc12.
What is the InChIKey of 4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine?
The InChIKey is HNVRPVRQYUFLGD-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16ClN5O2/c1-15(2,20-21-17)12-7-19-14(23-9-3-4-22-8-9)11-6-18-13(16)5-10(11)12/h5-7,9H,3-4,8H2,1-2H3/t9-/m0/s1.
What are the key properties of 4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine?
4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine has a molecular weight of 333.78 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine is sourced from PubChem (CID 165381005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).