azetidin-1-yl-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]methanone

C22H20FN5O4 — CID 154679562

IUPACazetidin-1-yl-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]methanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCC5)nc4)no3)c2cc1F
InChIInChI=1S/C22H20FN5O4/c1-30-7-8-31-19-11-18-14(9-15(19)23)21(26-25-18)20-10-17(27-32-20)13-3-4-16(24-12-13)22(29)28-5-2-6-28/h3-4,9-12H,2,5-8H2,1H3,(H,25,26)
InChIKeyHJYQWAJNPFFSOY-UHFFFAOYSA-N
MW437.43 g/mol
LogP3.29
Rot. Bonds7

About azetidin-1-yl-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]methanone

azetidin-1-yl-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]methanone (PubChem CID 154679562) has the molecular formula C22H20FN5O4 and a molecular weight of 437.43 g/mol. Its IUPAC name is azetidin-1-yl-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]methanone
PubChem CID154679562
Molecular FormulaC22H20FN5O4
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC Nameazetidin-1-yl-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]methanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCC5)nc4)no3)c2cc1F
InChIInChI=1S/C22H20FN5O4/c1-30-7-8-31-19-11-18-14(9-15(19)23)21(26-25-18)20-10-17(27-32-20)13-3-4-16(24-12-13)22(29)28-5-2-6-28/h3-4,9-12H,2,5-8H2,1H3,(H,25,26)
InChIKeyHJYQWAJNPFFSOY-UHFFFAOYSA-N
XLogP3.29
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]methanone?
The IUPAC name of azetidin-1-yl-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]methanone (CID 154679562) is azetidin-1-yl-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]methanone.
What is the SMILES notation for azetidin-1-yl-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]methanone?
The canonical SMILES for azetidin-1-yl-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]methanone is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCC5)nc4)no3)c2cc1F.
What is the InChIKey of azetidin-1-yl-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]methanone?
The InChIKey is HJYQWAJNPFFSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O4/c1-30-7-8-31-19-11-18-14(9-15(19)23)21(26-25-18)20-10-17(27-32-20)13-3-4-16(24-12-13)22(29)28-5-2-6-28/h3-4,9-12H,2,5-8H2,1H3,(H,25,26).
What are the key properties of azetidin-1-yl-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]methanone?
azetidin-1-yl-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]methanone has a molecular weight of 437.43 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]methanone is sourced from PubChem (CID 154679562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).