5-[(1R)-1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl]-2-[(3R)-oxolan-3-yl]oxypyridine

C18H17FN4O2 — CID 135124098

IUPAC5-[(1R)-1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl]-2-[(3R)-oxolan-3-yl]oxypyridine
SMILES[N-]=[N+]=N[C@@H]1CCc2c(-c3ccc(O[C@@H]4CCOC4)nc3)ccc(F)c21
InChIInChI=1S/C18H17FN4O2/c19-15-4-2-13(14-3-5-16(18(14)15)22-23-20)11-1-6-17(21-9-11)25-12-7-8-24-10-12/h1-2,4,6,9,12,16H,3,5,7-8,10H2/t12-,16-/m1/s1
InChIKeyYCYANKAKYULINL-MLGOLLRUSA-N
MW340.36 g/mol
LogP4.35
Rot. Bonds4

About 5-[(1R)-1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl]-2-[(3R)-oxolan-3-yl]oxypyridine

5-[(1R)-1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl]-2-[(3R)-oxolan-3-yl]oxypyridine (PubChem CID 135124098) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-[(1R)-1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl]-2-[(3R)-oxolan-3-yl]oxypyridine.

Molecular Properties

Compound Name5-[(1R)-1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl]-2-[(3R)-oxolan-3-yl]oxypyridine
PubChem CID135124098
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name5-[(1R)-1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl]-2-[(3R)-oxolan-3-yl]oxypyridine
SMILES[N-]=[N+]=N[C@@H]1CCc2c(-c3ccc(O[C@@H]4CCOC4)nc3)ccc(F)c21
InChIInChI=1S/C18H17FN4O2/c19-15-4-2-13(14-3-5-16(18(14)15)22-23-20)11-1-6-17(21-9-11)25-12-7-8-24-10-12/h1-2,4,6,9,12,16H,3,5,7-8,10H2/t12-,16-/m1/s1
InChIKeyYCYANKAKYULINL-MLGOLLRUSA-N
XLogP4.35
TPSA80.11 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

ethyl 3-[6-[[(1R)-7-fluoro-4-[6-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-pyridinyl]hex-4-ynoate
CID 135124682
2-amino-2-(hydroxymethyl)propane-1,3-diol;3-[4-[[(1R)-7-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoic acid
CID 175872312
3-[4-[[(1R)-7-fluoro-4-[6-(oxetan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoic acid
CID 135124557
(4S)-4-[4-[[(1R)-5-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hept-5-yn-2-one
CID 163830089
N-(4-chlorophenyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730314
[6-(oxolan-3-yloxy)-3-pyridinyl]methanamine
CID 63559217
5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine
CID 63557481
N'-hydroxy-6-(oxan-4-yloxy)pyridine-3-carboximidamide
CID 61288784
2-amino-2-[6-(oxolan-3-yloxy)-3-pyridinyl]ethanol
CID 71182932
[4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone
CID 100729895
6-(oxolan-3-yloxy)-N-phenylpyridine-3-carboxamide
CID 91815160
6-(oxan-4-yloxy)pyridin-3-amine
CID 51063694

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl]-2-[(3R)-oxolan-3-yl]oxypyridine?
The IUPAC name of 5-[(1R)-1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl]-2-[(3R)-oxolan-3-yl]oxypyridine (CID 135124098) is 5-[(1R)-1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl]-2-[(3R)-oxolan-3-yl]oxypyridine.
What is the SMILES notation for 5-[(1R)-1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl]-2-[(3R)-oxolan-3-yl]oxypyridine?
The canonical SMILES for 5-[(1R)-1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl]-2-[(3R)-oxolan-3-yl]oxypyridine is [N-]=[N+]=N[C@@H]1CCc2c(-c3ccc(O[C@@H]4CCOC4)nc3)ccc(F)c21.
What is the InChIKey of 5-[(1R)-1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl]-2-[(3R)-oxolan-3-yl]oxypyridine?
The InChIKey is YCYANKAKYULINL-MLGOLLRUSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-15-4-2-13(14-3-5-16(18(14)15)22-23-20)11-1-6-17(21-9-11)25-12-7-8-24-10-12/h1-2,4,6,9,12,16H,3,5,7-8,10H2/t12-,16-/m1/s1.
What are the key properties of 5-[(1R)-1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl]-2-[(3R)-oxolan-3-yl]oxypyridine?
5-[(1R)-1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl]-2-[(3R)-oxolan-3-yl]oxypyridine has a molecular weight of 340.36 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl]-2-[(3R)-oxolan-3-yl]oxypyridine is sourced from PubChem (CID 135124098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).