3-methoxy-6-[(Z)-1-pyridin-2-ylprop-1-enyl]-1H-indazole

C16H15N3O — CID 71053321

IUPAC3-methoxy-6-[(Z)-1-pyridin-2-ylprop-1-enyl]-1H-indazole
SMILESC/C=C(/c1ccc2c(OC)n[nH]c2c1)c1ccccn1
InChIInChI=1S/C16H15N3O/c1-3-12(14-6-4-5-9-17-14)11-7-8-13-15(10-11)18-19-16(13)20-2/h3-10H,1-2H3,(H,18,19)/b12-3-
InChIKeyXYALNQFEQAVYII-BASWHVEKSA-N
MW265.32 g/mol
LogP3.42
Rot. Bonds3

About 3-methoxy-6-[(Z)-1-pyridin-2-ylprop-1-enyl]-1H-indazole

3-methoxy-6-[(Z)-1-pyridin-2-ylprop-1-enyl]-1H-indazole (PubChem CID 71053321) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-methoxy-6-[(Z)-1-pyridin-2-ylprop-1-enyl]-1H-indazole.

Molecular Properties

Compound Name3-methoxy-6-[(Z)-1-pyridin-2-ylprop-1-enyl]-1H-indazole
PubChem CID71053321
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-methoxy-6-[(Z)-1-pyridin-2-ylprop-1-enyl]-1H-indazole
SMILESC/C=C(/c1ccc2c(OC)n[nH]c2c1)c1ccccn1
InChIInChI=1S/C16H15N3O/c1-3-12(14-6-4-5-9-17-14)11-7-8-13-15(10-11)18-19-16(13)20-2/h3-10H,1-2H3,(H,18,19)/b12-3-
InChIKeyXYALNQFEQAVYII-BASWHVEKSA-N
XLogP3.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-[(Z)-1-pyridin-2-ylprop-1-enyl]-1H-indazole?
The IUPAC name of 3-methoxy-6-[(Z)-1-pyridin-2-ylprop-1-enyl]-1H-indazole (CID 71053321) is 3-methoxy-6-[(Z)-1-pyridin-2-ylprop-1-enyl]-1H-indazole.
What is the SMILES notation for 3-methoxy-6-[(Z)-1-pyridin-2-ylprop-1-enyl]-1H-indazole?
The canonical SMILES for 3-methoxy-6-[(Z)-1-pyridin-2-ylprop-1-enyl]-1H-indazole is C/C=C(/c1ccc2c(OC)n[nH]c2c1)c1ccccn1.
What is the InChIKey of 3-methoxy-6-[(Z)-1-pyridin-2-ylprop-1-enyl]-1H-indazole?
The InChIKey is XYALNQFEQAVYII-BASWHVEKSA-N. The full InChI is InChI=1S/C16H15N3O/c1-3-12(14-6-4-5-9-17-14)11-7-8-13-15(10-11)18-19-16(13)20-2/h3-10H,1-2H3,(H,18,19)/b12-3-.
What are the key properties of 3-methoxy-6-[(Z)-1-pyridin-2-ylprop-1-enyl]-1H-indazole?
3-methoxy-6-[(Z)-1-pyridin-2-ylprop-1-enyl]-1H-indazole has a molecular weight of 265.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-[(Z)-1-pyridin-2-ylprop-1-enyl]-1H-indazole is sourced from PubChem (CID 71053321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).