5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole

C21H15F2N3 — CID 156734137

IUPAC5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
SMILESFc1cc(F)cc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C21H15F2N3/c22-16-10-15(11-17(23)13-16)9-14-4-6-20-19(12-14)21(26-25-20)7-5-18-3-1-2-8-24-18/h1-8,10-13H,9H2,(H,25,26)/b7-5+
InChIKeyXOWLGKWJTBNPJL-FNORWQNLSA-N
MW347.37 g/mol
LogP5.00
Rot. Bonds4

About 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole

5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole (PubChem CID 156734137) has the molecular formula C21H15F2N3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
PubChem CID156734137
Molecular FormulaC21H15F2N3
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
SMILESFc1cc(F)cc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C21H15F2N3/c22-16-10-15(11-17(23)13-16)9-14-4-6-20-19(12-14)21(26-25-20)7-5-18-3-1-2-8-24-18/h1-8,10-13H,9H2,(H,25,26)/b7-5+
InChIKeyXOWLGKWJTBNPJL-FNORWQNLSA-N
XLogP5.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
The IUPAC name of 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole (CID 156734137) is 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
The canonical SMILES for 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole is Fc1cc(F)cc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.
What is the InChIKey of 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
The InChIKey is XOWLGKWJTBNPJL-FNORWQNLSA-N. The full InChI is InChI=1S/C21H15F2N3/c22-16-10-15(11-17(23)13-16)9-14-4-6-20-19(12-14)21(26-25-20)7-5-18-3-1-2-8-24-18/h1-8,10-13H,9H2,(H,25,26)/b7-5+.
What are the key properties of 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole has a molecular weight of 347.37 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole is sourced from PubChem (CID 156734137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).