3,6-bis(3-ethoxyphenyl)-1H-indazole

C23H22N2O2 — CID 166630134

IUPAC3,6-bis(3-ethoxyphenyl)-1H-indazole
SMILESCCOc1cccc(-c2ccc3c(-c4cccc(OCC)c4)n[nH]c3c2)c1
InChIInChI=1S/C23H22N2O2/c1-3-26-19-9-5-7-16(13-19)17-11-12-21-22(15-17)24-25-23(21)18-8-6-10-20(14-18)27-4-2/h5-15H,3-4H2,1-2H3,(H,24,25)
InChIKeyPVTBUYDJYPXTOI-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.69
Rot. Bonds6

About 3,6-bis(3-ethoxyphenyl)-1H-indazole

3,6-bis(3-ethoxyphenyl)-1H-indazole (PubChem CID 166630134) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3,6-bis(3-ethoxyphenyl)-1H-indazole.

Molecular Properties

Compound Name3,6-bis(3-ethoxyphenyl)-1H-indazole
PubChem CID166630134
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name3,6-bis(3-ethoxyphenyl)-1H-indazole
SMILESCCOc1cccc(-c2ccc3c(-c4cccc(OCC)c4)n[nH]c3c2)c1
InChIInChI=1S/C23H22N2O2/c1-3-26-19-9-5-7-16(13-19)17-11-12-21-22(15-17)24-25-23(21)18-8-6-10-20(14-18)27-4-2/h5-15H,3-4H2,1-2H3,(H,24,25)
InChIKeyPVTBUYDJYPXTOI-UHFFFAOYSA-N
XLogP5.69
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-phenylmethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 68230037
N-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide
CID 71681990
3-(5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 71682141
3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 71682142
N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide
CID 71682143
3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide
CID 71682298
Mps1 Inhibitor I
CID 73345836
3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole
CID 134179643
3-(naphthalen-1-ylmethoxy)-1H-indazole
CID 154487473
4-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol
CID 135839302
3-(Naphthalen-2-yl)-6-(3-methoxy4-hydroxy-phenyl)-1H-indazole
CID 135839319
5-(benzyloxy)-1H-indazole
CID 12798088

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3-ethoxyphenyl)-1H-indazole?
The IUPAC name of 3,6-bis(3-ethoxyphenyl)-1H-indazole (CID 166630134) is 3,6-bis(3-ethoxyphenyl)-1H-indazole.
What is the SMILES notation for 3,6-bis(3-ethoxyphenyl)-1H-indazole?
The canonical SMILES for 3,6-bis(3-ethoxyphenyl)-1H-indazole is CCOc1cccc(-c2ccc3c(-c4cccc(OCC)c4)n[nH]c3c2)c1.
What is the InChIKey of 3,6-bis(3-ethoxyphenyl)-1H-indazole?
The InChIKey is PVTBUYDJYPXTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-3-26-19-9-5-7-16(13-19)17-11-12-21-22(15-17)24-25-23(21)18-8-6-10-20(14-18)27-4-2/h5-15H,3-4H2,1-2H3,(H,24,25).
What are the key properties of 3,6-bis(3-ethoxyphenyl)-1H-indazole?
3,6-bis(3-ethoxyphenyl)-1H-indazole has a molecular weight of 358.44 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3-ethoxyphenyl)-1H-indazole is sourced from PubChem (CID 166630134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).