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

C20H13F2N3O — CID 156734147

IUPAC5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
SMILESFc1cc(F)cc(Oc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C20H13F2N3O/c21-13-9-14(22)11-17(10-13)26-16-5-7-20-18(12-16)19(24-25-20)6-4-15-3-1-2-8-23-15/h1-12H,(H,24,25)/b6-4+
InChIKeyRHGGEGBXSUZHQZ-GQCTYLIASA-N
MW349.34 g/mol
LogP5.20
Rot. Bonds4

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

5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole (PubChem CID 156734147) has the molecular formula C20H13F2N3O and a molecular weight of 349.34 g/mol. Its IUPAC name is 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole.

Molecular Properties

Compound Name5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
PubChem CID156734147
Molecular FormulaC20H13F2N3O
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Name5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
SMILESFc1cc(F)cc(Oc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C20H13F2N3O/c21-13-9-14(22)11-17(10-13)26-16-5-7-20-18(12-16)19(24-25-20)6-4-15-3-1-2-8-23-15/h1-12H,(H,24,25)/b6-4+
InChIKeyRHGGEGBXSUZHQZ-GQCTYLIASA-N
XLogP5.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.34
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole?
The IUPAC name of 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole (CID 156734147) is 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole.
What is the SMILES notation for 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole?
The canonical SMILES for 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole is Fc1cc(F)cc(Oc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1.
What is the InChIKey of 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole?
The InChIKey is RHGGEGBXSUZHQZ-GQCTYLIASA-N. The full InChI is InChI=1S/C20H13F2N3O/c21-13-9-14(22)11-17(10-13)26-16-5-7-20-18(12-16)19(24-25-20)6-4-15-3-1-2-8-23-15/h1-12H,(H,24,25)/b6-4+.
What are the key properties of 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole?
5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole has a molecular weight of 349.34 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole is sourced from PubChem (CID 156734147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).