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

C21H15F2N3O — CID 162643463

IUPAC5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
SMILESFc1cc(F)cc(OCc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C21H15F2N3O/c22-15-10-16(23)12-18(11-15)27-13-14-4-6-20-19(9-14)21(26-25-20)7-5-17-3-1-2-8-24-17/h1-12H,13H2,(H,25,26)/b7-5+
InChIKeyIJEQTEVIXYPEPD-FNORWQNLSA-N
MW363.37 g/mol
LogP4.99
Rot. Bonds5

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

5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole (PubChem CID 162643463) has the molecular formula C21H15F2N3O and a molecular weight of 363.37 g/mol. Its IUPAC name is 5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole.

Molecular Properties

Compound Name5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
PubChem CID162643463
Molecular FormulaC21H15F2N3O
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
SMILESFc1cc(F)cc(OCc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C21H15F2N3O/c22-15-10-16(23)12-18(11-15)27-13-14-4-6-20-19(9-14)21(26-25-20)7-5-17-3-1-2-8-24-17/h1-12H,13H2,(H,25,26)/b7-5+
InChIKeyIJEQTEVIXYPEPD-FNORWQNLSA-N
XLogP4.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
The IUPAC name of 5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole (CID 162643463) is 5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole.
What is the SMILES notation for 5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
The canonical SMILES for 5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole is Fc1cc(F)cc(OCc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.
What is the InChIKey of 5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
The InChIKey is IJEQTEVIXYPEPD-FNORWQNLSA-N. The full InChI is InChI=1S/C21H15F2N3O/c22-15-10-16(23)12-18(11-15)27-13-14-4-6-20-19(9-14)21(26-25-20)7-5-17-3-1-2-8-24-17/h1-12H,13H2,(H,25,26)/b7-5+.
What are the key properties of 5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole has a molecular weight of 363.37 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenoxy)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole is sourced from PubChem (CID 162643463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).