5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-methyl-1H-indazole

C20H16FN3 — CID 90095471

IUPAC5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-methyl-1H-indazole
SMILESCc1cc(-c2ncccc2-c2cc3cn[nH]c3cc2C)ccc1F
InChIInChI=1S/C20H16FN3/c1-12-9-19-15(11-23-24-19)10-17(12)16-4-3-7-22-20(16)14-5-6-18(21)13(2)8-14/h3-11H,1-2H3,(H,23,24)
InChIKeyXIFCWSTUFVXFPJ-UHFFFAOYSA-N
MW317.37 g/mol
LogP5.05
Rot. Bonds2

About 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-methyl-1H-indazole

5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-methyl-1H-indazole (PubChem CID 90095471) has the molecular formula C20H16FN3 and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-methyl-1H-indazole.

Molecular Properties

Compound Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-methyl-1H-indazole
PubChem CID90095471
Molecular FormulaC20H16FN3
Molecular Weight317.37 g/mol
Exact Mass317.13
IUPAC Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-methyl-1H-indazole
SMILESCc1cc(-c2ncccc2-c2cc3cn[nH]c3cc2C)ccc1F
InChIInChI=1S/C20H16FN3/c1-12-9-19-15(11-23-24-19)10-17(12)16-4-3-7-22-20(16)14-5-6-18(21)13(2)8-14/h3-11H,1-2H3,(H,23,24)
InChIKeyXIFCWSTUFVXFPJ-UHFFFAOYSA-N
XLogP5.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.37
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-methyl-1H-indazole?
The IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-methyl-1H-indazole (CID 90095471) is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-methyl-1H-indazole.
What is the SMILES notation for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-methyl-1H-indazole?
The canonical SMILES for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-methyl-1H-indazole is Cc1cc(-c2ncccc2-c2cc3cn[nH]c3cc2C)ccc1F.
What is the InChIKey of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-methyl-1H-indazole?
The InChIKey is XIFCWSTUFVXFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3/c1-12-9-19-15(11-23-24-19)10-17(12)16-4-3-7-22-20(16)14-5-6-18(21)13(2)8-14/h3-11H,1-2H3,(H,23,24).
What are the key properties of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-methyl-1H-indazole?
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-methyl-1H-indazole has a molecular weight of 317.37 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-6-methyl-1H-indazole is sourced from PubChem (CID 90095471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).