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

C23H18FN5O4 — CID 154679470

IUPAC2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridazin-3-one
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(-n5ncccc5=O)cc4)no3)c2cc1F
InChIInChI=1S/C23H18FN5O4/c1-31-9-10-32-20-13-19-16(11-17(20)24)23(27-26-19)21-12-18(28-33-21)14-4-6-15(7-5-14)29-22(30)3-2-8-25-29/h2-8,11-13H,9-10H2,1H3,(H,26,27)
InChIKeyWXBGSLVSGDZITC-UHFFFAOYSA-N
MW447.43 g/mol
LogP3.60
Rot. Bonds7

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

2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridazin-3-one (PubChem CID 154679470) has the molecular formula C23H18FN5O4 and a molecular weight of 447.43 g/mol. Its IUPAC name is 2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridazin-3-one
PubChem CID154679470
Molecular FormulaC23H18FN5O4
Molecular Weight447.43 g/mol
Exact Mass447.13
IUPAC Name2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridazin-3-one
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(-n5ncccc5=O)cc4)no3)c2cc1F
InChIInChI=1S/C23H18FN5O4/c1-31-9-10-32-20-13-19-16(11-17(20)24)23(27-26-19)21-12-18(28-33-21)14-4-6-15(7-5-14)29-22(30)3-2-8-25-29/h2-8,11-13H,9-10H2,1H3,(H,26,27)
InChIKeyWXBGSLVSGDZITC-UHFFFAOYSA-N
XLogP3.60
TPSA108.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridazin-3-one with MolForge

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Related Compounds

5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide
CID 134153448
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)azetidin-1-yl]methanone
CID 154679430
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 154679435
3-[4-[(3aR,6aS)-1-methyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole
CID 154679437
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 154679438
[4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 154679439
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone
CID 154679440
4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one
CID 154679442
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 154679443
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 154679445
4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid
CID 154679448
[2-fluoro-4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(1,3-oxazinan-3-yl)methanone
CID 154679449

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridazin-3-one?
The IUPAC name of 2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridazin-3-one (CID 154679470) is 2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridazin-3-one?
The canonical SMILES for 2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridazin-3-one is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(-n5ncccc5=O)cc4)no3)c2cc1F.
What is the InChIKey of 2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridazin-3-one?
The InChIKey is WXBGSLVSGDZITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O4/c1-31-9-10-32-20-13-19-16(11-17(20)24)23(27-26-19)21-12-18(28-33-21)14-4-6-15(7-5-14)29-22(30)3-2-8-25-29/h2-8,11-13H,9-10H2,1H3,(H,26,27).
What are the key properties of 2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridazin-3-one?
2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridazin-3-one has a molecular weight of 447.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridazin-3-one is sourced from PubChem (CID 154679470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).