5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole

C21H15F2N3O — CID 162664273

IUPAC5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
SMILESFc1cc(F)cc(COc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C21H15F2N3O/c22-15-9-14(10-16(23)11-15)13-27-18-5-7-21-19(12-18)20(25-26-21)6-4-17-3-1-2-8-24-17/h1-12H,13H2,(H,25,26)/b6-4+
InChIKeyOIBHJHBQKAMDOY-GQCTYLIASA-N
MW363.37 g/mol
LogP4.99
Rot. Bonds5

About 5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole

5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole (PubChem CID 162664273) has the molecular formula C21H15F2N3O and a molecular weight of 363.37 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
PubChem CID162664273
Molecular FormulaC21H15F2N3O
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
SMILESFc1cc(F)cc(COc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C21H15F2N3O/c22-15-9-14(10-16(23)11-15)13-27-18-5-7-21-19(12-18)20(25-26-21)6-4-17-3-1-2-8-24-17/h1-12H,13H2,(H,25,26)/b6-4+
InChIKeyOIBHJHBQKAMDOY-GQCTYLIASA-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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole?
The IUPAC name of 5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole (CID 162664273) is 5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole?
The canonical SMILES for 5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole is Fc1cc(F)cc(COc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1.
What is the InChIKey of 5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole?
The InChIKey is OIBHJHBQKAMDOY-GQCTYLIASA-N. The full InChI is InChI=1S/C21H15F2N3O/c22-15-9-14(10-16(23)11-15)13-27-18-5-7-21-19(12-18)20(25-26-21)6-4-17-3-1-2-8-24-17/h1-12H,13H2,(H,25,26)/b6-4+.
What are the key properties of 5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole?
5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-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-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole is sourced from PubChem (CID 162664273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).