[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone

C24H23FN4O5 — CID 154679440

IUPAC[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CC(OC)C5)cc4)no3)c2cc1F
InChIInChI=1S/C24H23FN4O5/c1-31-7-8-33-21-11-20-17(9-18(21)25)23(27-26-20)22-10-19(28-34-22)14-3-5-15(6-4-14)24(30)29-12-16(13-29)32-2/h3-6,9-11,16H,7-8,12-13H2,1-2H3,(H,26,27)
InChIKeyQLXQWOZNRFZMGI-UHFFFAOYSA-N
MW466.47 g/mol
LogP3.52
Rot. Bonds8

About [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone

[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone (PubChem CID 154679440) has the molecular formula C24H23FN4O5 and a molecular weight of 466.47 g/mol. Its IUPAC name is [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone
PubChem CID154679440
Molecular FormulaC24H23FN4O5
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CC(OC)C5)cc4)no3)c2cc1F
InChIInChI=1S/C24H23FN4O5/c1-31-7-8-33-21-11-20-17(9-18(21)25)23(27-26-20)22-10-19(28-34-22)14-3-5-15(6-4-14)24(30)29-12-16(13-29)32-2/h3-6,9-11,16H,7-8,12-13H2,1-2H3,(H,26,27)
InChIKeyQLXQWOZNRFZMGI-UHFFFAOYSA-N
XLogP3.52
TPSA102.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 53.52
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 [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone?
The IUPAC name of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone (CID 154679440) is [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone.
What is the SMILES notation for [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone?
The canonical SMILES for [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CC(OC)C5)cc4)no3)c2cc1F.
What is the InChIKey of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone?
The InChIKey is QLXQWOZNRFZMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O5/c1-31-7-8-33-21-11-20-17(9-18(21)25)23(27-26-20)22-10-19(28-34-22)14-3-5-15(6-4-14)24(30)29-12-16(13-29)32-2/h3-6,9-11,16H,7-8,12-13H2,1-2H3,(H,26,27).
What are the key properties of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone?
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone has a molecular weight of 466.47 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone is sourced from PubChem (CID 154679440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).