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

C21H17N3O — CID 22980665

IUPAC3-[(E)-2-(3-methoxyphenyl)ethenyl]-6-pyridin-4-yl-1H-indazole
SMILESCOc1cccc(/C=C/c2n[nH]c3cc(-c4ccncc4)ccc23)c1
InChIInChI=1S/C21H17N3O/c1-25-18-4-2-3-15(13-18)5-8-20-19-7-6-17(14-21(19)24-23-20)16-9-11-22-12-10-16/h2-14H,1H3,(H,23,24)/b8-5+
InChIKeyOGXAUYJGBCTBHK-VMPITWQZSA-N
MW327.39 g/mol
LogP4.80
Rot. Bonds4

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

3-[(E)-2-(3-methoxyphenyl)ethenyl]-6-pyridin-4-yl-1H-indazole (PubChem CID 22980665) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-[(E)-2-(3-methoxyphenyl)ethenyl]-6-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name3-[(E)-2-(3-methoxyphenyl)ethenyl]-6-pyridin-4-yl-1H-indazole
PubChem CID22980665
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name3-[(E)-2-(3-methoxyphenyl)ethenyl]-6-pyridin-4-yl-1H-indazole
SMILESCOc1cccc(/C=C/c2n[nH]c3cc(-c4ccncc4)ccc23)c1
InChIInChI=1S/C21H17N3O/c1-25-18-4-2-3-15(13-18)5-8-20-19-7-6-17(14-21(19)24-23-20)16-9-11-22-12-10-16/h2-14H,1H3,(H,23,24)/b8-5+
InChIKeyOGXAUYJGBCTBHK-VMPITWQZSA-N
XLogP4.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-methoxyphenyl)ethenyl]-6-pyridin-4-yl-1H-indazole?
The IUPAC name of 3-[(E)-2-(3-methoxyphenyl)ethenyl]-6-pyridin-4-yl-1H-indazole (CID 22980665) is 3-[(E)-2-(3-methoxyphenyl)ethenyl]-6-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 3-[(E)-2-(3-methoxyphenyl)ethenyl]-6-pyridin-4-yl-1H-indazole?
The canonical SMILES for 3-[(E)-2-(3-methoxyphenyl)ethenyl]-6-pyridin-4-yl-1H-indazole is COc1cccc(/C=C/c2n[nH]c3cc(-c4ccncc4)ccc23)c1.
What is the InChIKey of 3-[(E)-2-(3-methoxyphenyl)ethenyl]-6-pyridin-4-yl-1H-indazole?
The InChIKey is OGXAUYJGBCTBHK-VMPITWQZSA-N. The full InChI is InChI=1S/C21H17N3O/c1-25-18-4-2-3-15(13-18)5-8-20-19-7-6-17(14-21(19)24-23-20)16-9-11-22-12-10-16/h2-14H,1H3,(H,23,24)/b8-5+.
What are the key properties of 3-[(E)-2-(3-methoxyphenyl)ethenyl]-6-pyridin-4-yl-1H-indazole?
3-[(E)-2-(3-methoxyphenyl)ethenyl]-6-pyridin-4-yl-1H-indazole has a molecular weight of 327.39 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-methoxyphenyl)ethenyl]-6-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 22980665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).