5-(3-fluoro-4-nitro-2-pyridinyl)-1-methyl-3-(1-methylpyrazol-4-yl)indazole

C17H13FN6O2 — CID 121271746

IUPAC5-(3-fluoro-4-nitro-2-pyridinyl)-1-methyl-3-(1-methylpyrazol-4-yl)indazole
SMILESCn1cc(-c2nn(C)c3ccc(-c4nccc([N+](=O)[O-])c4F)cc23)cn1
InChIInChI=1S/C17H13FN6O2/c1-22-9-11(8-20-22)16-12-7-10(3-4-13(12)23(2)21-16)17-15(18)14(24(25)26)5-6-19-17/h3-9H,1-2H3
InChIKeyAGUOLUIUVJWLDS-UHFFFAOYSA-N
MW352.33 g/mol
LogP3.08
Rot. Bonds3

About 5-(3-fluoro-4-nitro-2-pyridinyl)-1-methyl-3-(1-methylpyrazol-4-yl)indazole

5-(3-fluoro-4-nitro-2-pyridinyl)-1-methyl-3-(1-methylpyrazol-4-yl)indazole (PubChem CID 121271746) has the molecular formula C17H13FN6O2 and a molecular weight of 352.33 g/mol. Its IUPAC name is 5-(3-fluoro-4-nitro-2-pyridinyl)-1-methyl-3-(1-methylpyrazol-4-yl)indazole.

Molecular Properties

Compound Name5-(3-fluoro-4-nitro-2-pyridinyl)-1-methyl-3-(1-methylpyrazol-4-yl)indazole
PubChem CID121271746
Molecular FormulaC17H13FN6O2
Molecular Weight352.33 g/mol
Exact Mass352.11
IUPAC Name5-(3-fluoro-4-nitro-2-pyridinyl)-1-methyl-3-(1-methylpyrazol-4-yl)indazole
SMILESCn1cc(-c2nn(C)c3ccc(-c4nccc([N+](=O)[O-])c4F)cc23)cn1
InChIInChI=1S/C17H13FN6O2/c1-22-9-11(8-20-22)16-12-7-10(3-4-13(12)23(2)21-16)17-15(18)14(24(25)26)5-6-19-17/h3-9H,1-2H3
InChIKeyAGUOLUIUVJWLDS-UHFFFAOYSA-N
XLogP3.08
TPSA91.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-nitro-2-pyridinyl)-1-methyl-3-(1-methylpyrazol-4-yl)indazole?
The IUPAC name of 5-(3-fluoro-4-nitro-2-pyridinyl)-1-methyl-3-(1-methylpyrazol-4-yl)indazole (CID 121271746) is 5-(3-fluoro-4-nitro-2-pyridinyl)-1-methyl-3-(1-methylpyrazol-4-yl)indazole.
What is the SMILES notation for 5-(3-fluoro-4-nitro-2-pyridinyl)-1-methyl-3-(1-methylpyrazol-4-yl)indazole?
The canonical SMILES for 5-(3-fluoro-4-nitro-2-pyridinyl)-1-methyl-3-(1-methylpyrazol-4-yl)indazole is Cn1cc(-c2nn(C)c3ccc(-c4nccc([N+](=O)[O-])c4F)cc23)cn1.
What is the InChIKey of 5-(3-fluoro-4-nitro-2-pyridinyl)-1-methyl-3-(1-methylpyrazol-4-yl)indazole?
The InChIKey is AGUOLUIUVJWLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O2/c1-22-9-11(8-20-22)16-12-7-10(3-4-13(12)23(2)21-16)17-15(18)14(24(25)26)5-6-19-17/h3-9H,1-2H3.
What are the key properties of 5-(3-fluoro-4-nitro-2-pyridinyl)-1-methyl-3-(1-methylpyrazol-4-yl)indazole?
5-(3-fluoro-4-nitro-2-pyridinyl)-1-methyl-3-(1-methylpyrazol-4-yl)indazole has a molecular weight of 352.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-nitro-2-pyridinyl)-1-methyl-3-(1-methylpyrazol-4-yl)indazole is sourced from PubChem (CID 121271746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).