6-pyridin-4-yl-3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-indazole

C21H14F3N3O — CID 22978206

IUPAC6-pyridin-4-yl-3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-indazole
SMILESFC(F)(F)Oc1cccc(/C=C/c2n[nH]c3cc(-c4ccncc4)ccc23)c1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)28-17-3-1-2-14(12-17)4-7-19-18-6-5-16(13-20(18)27-26-19)15-8-10-25-11-9-15/h1-13H,(H,26,27)/b7-4+
InChIKeyJPQSUYRVRQRMPH-QPJJXVBHSA-N
MW381.36 g/mol
LogP5.69
Rot. Bonds4

About 6-pyridin-4-yl-3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-indazole

6-pyridin-4-yl-3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-indazole (PubChem CID 22978206) has the molecular formula C21H14F3N3O and a molecular weight of 381.36 g/mol. Its IUPAC name is 6-pyridin-4-yl-3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-indazole.

Molecular Properties

Compound Name6-pyridin-4-yl-3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-indazole
PubChem CID22978206
Molecular FormulaC21H14F3N3O
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC Name6-pyridin-4-yl-3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-indazole
SMILESFC(F)(F)Oc1cccc(/C=C/c2n[nH]c3cc(-c4ccncc4)ccc23)c1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)28-17-3-1-2-14(12-17)4-7-19-18-6-5-16(13-20(18)27-26-19)15-8-10-25-11-9-15/h1-13H,(H,26,27)/b7-4+
InChIKeyJPQSUYRVRQRMPH-QPJJXVBHSA-N
XLogP5.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-indazole?
The IUPAC name of 6-pyridin-4-yl-3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-indazole (CID 22978206) is 6-pyridin-4-yl-3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-indazole.
What is the SMILES notation for 6-pyridin-4-yl-3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-indazole?
The canonical SMILES for 6-pyridin-4-yl-3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-indazole is FC(F)(F)Oc1cccc(/C=C/c2n[nH]c3cc(-c4ccncc4)ccc23)c1.
What is the InChIKey of 6-pyridin-4-yl-3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-indazole?
The InChIKey is JPQSUYRVRQRMPH-QPJJXVBHSA-N. The full InChI is InChI=1S/C21H14F3N3O/c22-21(23,24)28-17-3-1-2-14(12-17)4-7-19-18-6-5-16(13-20(18)27-26-19)15-8-10-25-11-9-15/h1-13H,(H,26,27)/b7-4+.
What are the key properties of 6-pyridin-4-yl-3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-indazole?
6-pyridin-4-yl-3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-indazole has a molecular weight of 381.36 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-indazole is sourced from PubChem (CID 22978206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).