1-[(2-fluorophenyl)-indazol-1-ylmethyl]indazole

C21H15FN4 — CID 14962535

IUPAC1-[(2-fluorophenyl)-indazol-1-ylmethyl]indazole
SMILESFc1ccccc1C(n1ncc2ccccc21)n1ncc2ccccc21
InChIInChI=1S/C21H15FN4/c22-18-10-4-3-9-17(18)21(25-19-11-5-1-7-15(19)13-23-25)26-20-12-6-2-8-16(20)14-24-26/h1-14,21H
InChIKeyIQMAZOKJMCUGAT-UHFFFAOYSA-N
MW342.38 g/mol
LogP4.62
Rot. Bonds3

About 1-[(2-fluorophenyl)-indazol-1-ylmethyl]indazole

1-[(2-fluorophenyl)-indazol-1-ylmethyl]indazole (PubChem CID 14962535) has the molecular formula C21H15FN4 and a molecular weight of 342.38 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-indazol-1-ylmethyl]indazole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-indazol-1-ylmethyl]indazole
PubChem CID14962535
Molecular FormulaC21H15FN4
Molecular Weight342.38 g/mol
Exact Mass342.13
IUPAC Name1-[(2-fluorophenyl)-indazol-1-ylmethyl]indazole
SMILESFc1ccccc1C(n1ncc2ccccc21)n1ncc2ccccc21
InChIInChI=1S/C21H15FN4/c22-18-10-4-3-9-17(18)21(25-19-11-5-1-7-15(19)13-23-25)26-20-12-6-2-8-16(20)14-24-26/h1-14,21H
InChIKeyIQMAZOKJMCUGAT-UHFFFAOYSA-N
XLogP4.62
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-indazol-1-ylmethyl]indazole?
The IUPAC name of 1-[(2-fluorophenyl)-indazol-1-ylmethyl]indazole (CID 14962535) is 1-[(2-fluorophenyl)-indazol-1-ylmethyl]indazole.
What is the SMILES notation for 1-[(2-fluorophenyl)-indazol-1-ylmethyl]indazole?
The canonical SMILES for 1-[(2-fluorophenyl)-indazol-1-ylmethyl]indazole is Fc1ccccc1C(n1ncc2ccccc21)n1ncc2ccccc21.
What is the InChIKey of 1-[(2-fluorophenyl)-indazol-1-ylmethyl]indazole?
The InChIKey is IQMAZOKJMCUGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4/c22-18-10-4-3-9-17(18)21(25-19-11-5-1-7-15(19)13-23-25)26-20-12-6-2-8-16(20)14-24-26/h1-14,21H.
What are the key properties of 1-[(2-fluorophenyl)-indazol-1-ylmethyl]indazole?
1-[(2-fluorophenyl)-indazol-1-ylmethyl]indazole has a molecular weight of 342.38 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-indazol-1-ylmethyl]indazole is sourced from PubChem (CID 14962535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).