6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethylpyridine-3-carboxamide

C21H20FN5O4 — CID 154679592

IUPAC6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N(C)C)cn4)no3)c2cc1F
InChIInChI=1S/C21H20FN5O4/c1-27(2)21(28)12-4-5-15(23-11-12)17-10-19(31-26-17)20-13-8-14(22)18(30-7-6-29-3)9-16(13)24-25-20/h4-5,8-11H,6-7H2,1-3H3,(H,24,25)
InChIKeyFRQGIBCXCZEZTE-UHFFFAOYSA-N
MW425.42 g/mol
LogP3.15
Rot. Bonds7

About 6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethylpyridine-3-carboxamide

6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 154679592) has the molecular formula C21H20FN5O4 and a molecular weight of 425.42 g/mol. Its IUPAC name is 6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID154679592
Molecular FormulaC21H20FN5O4
Molecular Weight425.42 g/mol
Exact Mass425.15
IUPAC Name6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N(C)C)cn4)no3)c2cc1F
InChIInChI=1S/C21H20FN5O4/c1-27(2)21(28)12-4-5-15(23-11-12)17-10-19(31-26-17)20-13-8-14(22)18(30-7-6-29-3)9-16(13)24-25-20/h4-5,8-11H,6-7H2,1-3H3,(H,24,25)
InChIKeyFRQGIBCXCZEZTE-UHFFFAOYSA-N
XLogP3.15
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 53.15
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 6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethylpyridine-3-carboxamide (CID 154679592) is 6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethylpyridine-3-carboxamide is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N(C)C)cn4)no3)c2cc1F.
What is the InChIKey of 6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is FRQGIBCXCZEZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O4/c1-27(2)21(28)12-4-5-15(23-11-12)17-10-19(31-26-17)20-13-8-14(22)18(30-7-6-29-3)9-16(13)24-25-20/h4-5,8-11H,6-7H2,1-3H3,(H,24,25).
What are the key properties of 6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethylpyridine-3-carboxamide?
6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 425.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 154679592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).