[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone

C18H18ClFN6O2 — CID 165117763

IUPAC[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone
SMILESCC(C)(N=[N+]=[N-])c1cnc(OC2CN(C(=O)[C@H]3C[C@H]3F)C2)c2cnc(Cl)cc12
InChIInChI=1S/C18H18ClFN6O2/c1-18(2,24-25-21)13-6-23-16(12-5-22-15(19)4-10(12)13)28-9-7-26(8-9)17(27)11-3-14(11)20/h4-6,9,11,14H,3,7-8H2,1-2H3/t11-,14+/m0/s1
InChIKeyNNHGZYPAWIYFQJ-SMDDNHRTSA-N
MW404.83 g/mol
LogP3.78
Rot. Bonds5

About [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone

[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone (PubChem CID 165117763) has the molecular formula C18H18ClFN6O2 and a molecular weight of 404.83 g/mol. Its IUPAC name is [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone.

Molecular Properties

Compound Name[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone
PubChem CID165117763
Molecular FormulaC18H18ClFN6O2
Molecular Weight404.83 g/mol
Exact Mass404.12
IUPAC Name[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone
SMILESCC(C)(N=[N+]=[N-])c1cnc(OC2CN(C(=O)[C@H]3C[C@H]3F)C2)c2cnc(Cl)cc12
InChIInChI=1S/C18H18ClFN6O2/c1-18(2,24-25-21)13-6-23-16(12-5-22-15(19)4-10(12)13)28-9-7-26(8-9)17(27)11-3-14(11)20/h4-6,9,11,14H,3,7-8H2,1-2H3/t11-,14+/m0/s1
InChIKeyNNHGZYPAWIYFQJ-SMDDNHRTSA-N
XLogP3.78
TPSA104.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.83
LogP ≤ 53.78
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'}

Analyze [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone with MolForge

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Related Compounds

[(2S,3R)-3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]-2-methylazetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 165117399
fluoro 3-[[4-[(1R)-1-(tert-butylsulfinylamino)propyl]-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidine-1-carboxylate
CID 165117453
[3-[(4-bromo-6-chloro-2,7-naphthyridin-1-yl)oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 165117482
[3-[[4-(2-Aminopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 165117504
[3-[[6-chloro-4-[(2R)-1-methoxypropan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone
CID 165117520
(NE,S)-N-[[6-chloro-1-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide
CID 165117580
6-chloro-1-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]oxy-2,7-naphthyridine-4-carbaldehyde
CID 165117654
[3-[[4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone
CID 165117747
(S)-N-[(1R)-1-[6-chloro-1-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]oxy-2,7-naphthyridin-4-yl]propyl]-2-methylpropane-2-sulfinamide
CID 165117759
[3-[[4-(2-Aminopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-(3-fluoroazetidin-1-yl)methanone
CID 165117788
[3-[[6-chloro-4-(2-methylprop-1-enyl)-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 165117860
[3-[[4-[(2S)-2-azido-1-methoxypropan-2-yl]-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 165117864

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone?
The IUPAC name of [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone (CID 165117763) is [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone.
What is the SMILES notation for [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone?
The canonical SMILES for [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone is CC(C)(N=[N+]=[N-])c1cnc(OC2CN(C(=O)[C@H]3C[C@H]3F)C2)c2cnc(Cl)cc12.
What is the InChIKey of [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone?
The InChIKey is NNHGZYPAWIYFQJ-SMDDNHRTSA-N. The full InChI is InChI=1S/C18H18ClFN6O2/c1-18(2,24-25-21)13-6-23-16(12-5-22-15(19)4-10(12)13)28-9-7-26(8-9)17(27)11-3-14(11)20/h4-6,9,11,14H,3,7-8H2,1-2H3/t11-,14+/m0/s1.
What are the key properties of [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone?
[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone has a molecular weight of 404.83 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone is sourced from PubChem (CID 165117763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).