5-fluoro-7-(methoxymethoxy)-4-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole

C17H19FN4O3 — CID 165117274

IUPAC5-fluoro-7-(methoxymethoxy)-4-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole
SMILESCOCOc1cc(F)c(-c2cnn(C3CCCCO3)c2)c2cn[nH]c12
InChIInChI=1S/C17H19FN4O3/c1-23-10-25-14-6-13(18)16(12-8-19-21-17(12)14)11-7-20-22(9-11)15-4-2-3-5-24-15/h6-9,15H,2-5,10H2,1H3,(H,19,21)
InChIKeyFZBFPBJWKWIABQ-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.25
Rot. Bonds5

About 5-fluoro-7-(methoxymethoxy)-4-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole

5-fluoro-7-(methoxymethoxy)-4-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole (PubChem CID 165117274) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 5-fluoro-7-(methoxymethoxy)-4-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-fluoro-7-(methoxymethoxy)-4-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole
PubChem CID165117274
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name5-fluoro-7-(methoxymethoxy)-4-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole
SMILESCOCOc1cc(F)c(-c2cnn(C3CCCCO3)c2)c2cn[nH]c12
InChIInChI=1S/C17H19FN4O3/c1-23-10-25-14-6-13(18)16(12-8-19-21-17(12)14)11-7-20-22(9-11)15-4-2-3-5-24-15/h6-9,15H,2-5,10H2,1H3,(H,19,21)
InChIKeyFZBFPBJWKWIABQ-UHFFFAOYSA-N
XLogP3.25
TPSA74.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(methoxymethoxy)-4-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole?
The IUPAC name of 5-fluoro-7-(methoxymethoxy)-4-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole (CID 165117274) is 5-fluoro-7-(methoxymethoxy)-4-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole.
What is the SMILES notation for 5-fluoro-7-(methoxymethoxy)-4-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole?
The canonical SMILES for 5-fluoro-7-(methoxymethoxy)-4-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole is COCOc1cc(F)c(-c2cnn(C3CCCCO3)c2)c2cn[nH]c12.
What is the InChIKey of 5-fluoro-7-(methoxymethoxy)-4-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole?
The InChIKey is FZBFPBJWKWIABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-23-10-25-14-6-13(18)16(12-8-19-21-17(12)14)11-7-20-22(9-11)15-4-2-3-5-24-15/h6-9,15H,2-5,10H2,1H3,(H,19,21).
What are the key properties of 5-fluoro-7-(methoxymethoxy)-4-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole?
5-fluoro-7-(methoxymethoxy)-4-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole has a molecular weight of 346.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(methoxymethoxy)-4-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole is sourced from PubChem (CID 165117274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).