5-[(E)-2-phenyl-1-(4-propoxyphenyl)but-1-enyl]-1H-indazole

C26H26N2O — CID 145199698

IUPAC5-[(E)-2-phenyl-1-(4-propoxyphenyl)but-1-enyl]-1H-indazole
SMILESCCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C26H26N2O/c1-3-16-29-23-13-10-20(11-14-23)26(24(4-2)19-8-6-5-7-9-19)21-12-15-25-22(17-21)18-27-28-25/h5-15,17-18H,3-4,16H2,1-2H3,(H,27,28)/b26-24+
InChIKeySAEYNHVHMOEAAT-SHHOIMCASA-N
MW382.51 g/mol
LogP6.72
Rot. Bonds7

About 5-[(E)-2-phenyl-1-(4-propoxyphenyl)but-1-enyl]-1H-indazole

5-[(E)-2-phenyl-1-(4-propoxyphenyl)but-1-enyl]-1H-indazole (PubChem CID 145199698) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-[(E)-2-phenyl-1-(4-propoxyphenyl)but-1-enyl]-1H-indazole.

Molecular Properties

Compound Name5-[(E)-2-phenyl-1-(4-propoxyphenyl)but-1-enyl]-1H-indazole
PubChem CID145199698
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name5-[(E)-2-phenyl-1-(4-propoxyphenyl)but-1-enyl]-1H-indazole
SMILESCCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C26H26N2O/c1-3-16-29-23-13-10-20(11-14-23)26(24(4-2)19-8-6-5-7-9-19)21-12-15-25-22(17-21)18-27-28-25/h5-15,17-18H,3-4,16H2,1-2H3,(H,27,28)/b26-24+
InChIKeySAEYNHVHMOEAAT-SHHOIMCASA-N
XLogP6.72
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-(4-phenoxyphenyl)-1H-pyrazole
CID 2806138
5-Methoxy-1H-indazole
CID 13346860
5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole
CID 2806185
5-(4-Butoxy-phenyl)-1H-pyrazole
CID 10198293
5-(4-Butoxy-phenyl)-4-methyl-1H-pyrazole
CID 11322177
6-[3-(Benzyloxy)phenyl]-4-(1h-indazol-5-yl)pyrimidin-2(1h)-one
CID 24759583
6-[4-(Benzyloxy)phenyl]-4-(1h-indazol-5-yl)pyrimidin-2(1h)-one
CID 24759684
5-(1-benzylpiperidin-4-yloxy)-1H-indazole
CID 44421888
(E)-3-[4-[(E)-1-(1H-indazol-5-yl)-2-(2-methoxyphenyl)but-1-enyl]phenyl]prop-2-enoic acid
CID 56940946
(E)-3-[4-[(Z)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-3-methoxyphenyl]prop-2-enoic acid
CID 56941825
(E)-3-[4-[(Z)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-methoxyphenyl]prop-2-enoic acid
CID 56941959
Mps1 Inhibitor I
CID 73345836

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-phenyl-1-(4-propoxyphenyl)but-1-enyl]-1H-indazole?
The IUPAC name of 5-[(E)-2-phenyl-1-(4-propoxyphenyl)but-1-enyl]-1H-indazole (CID 145199698) is 5-[(E)-2-phenyl-1-(4-propoxyphenyl)but-1-enyl]-1H-indazole.
What is the SMILES notation for 5-[(E)-2-phenyl-1-(4-propoxyphenyl)but-1-enyl]-1H-indazole?
The canonical SMILES for 5-[(E)-2-phenyl-1-(4-propoxyphenyl)but-1-enyl]-1H-indazole is CCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of 5-[(E)-2-phenyl-1-(4-propoxyphenyl)but-1-enyl]-1H-indazole?
The InChIKey is SAEYNHVHMOEAAT-SHHOIMCASA-N. The full InChI is InChI=1S/C26H26N2O/c1-3-16-29-23-13-10-20(11-14-23)26(24(4-2)19-8-6-5-7-9-19)21-12-15-25-22(17-21)18-27-28-25/h5-15,17-18H,3-4,16H2,1-2H3,(H,27,28)/b26-24+.
What are the key properties of 5-[(E)-2-phenyl-1-(4-propoxyphenyl)but-1-enyl]-1H-indazole?
5-[(E)-2-phenyl-1-(4-propoxyphenyl)but-1-enyl]-1H-indazole has a molecular weight of 382.51 g/mol, XLogP of 6.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-phenyl-1-(4-propoxyphenyl)but-1-enyl]-1H-indazole is sourced from PubChem (CID 145199698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).