[3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-[2-(trifluoromethoxy)phenyl]phosphinic acid

C22H15F3N3O4P — CID 141116637

IUPAC[3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-[2-(trifluoromethoxy)phenyl]phosphinic acid
SMILESO=P(O)(Oc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C22H15F3N3O4P/c23-22(24,25)31-19-7-3-4-8-20(19)33(29,30)32-14-9-10-17-15(12-14)21(28-27-17)18-11-13-5-1-2-6-16(13)26-18/h1-12,26H,(H,27,28)(H,29,30)
InChIKeyRXMDVEVLAVOJPB-UHFFFAOYSA-N
MW473.35 g/mol
LogP5.50
Rot. Bonds5

About [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-[2-(trifluoromethoxy)phenyl]phosphinic acid

[3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-[2-(trifluoromethoxy)phenyl]phosphinic acid (PubChem CID 141116637) has the molecular formula C22H15F3N3O4P and a molecular weight of 473.35 g/mol. Its IUPAC name is [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-[2-(trifluoromethoxy)phenyl]phosphinic acid.

Molecular Properties

Compound Name[3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-[2-(trifluoromethoxy)phenyl]phosphinic acid
PubChem CID141116637
Molecular FormulaC22H15F3N3O4P
Molecular Weight473.35 g/mol
Exact Mass473.08
IUPAC Name[3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-[2-(trifluoromethoxy)phenyl]phosphinic acid
SMILESO=P(O)(Oc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C22H15F3N3O4P/c23-22(24,25)31-19-7-3-4-8-20(19)33(29,30)32-14-9-10-17-15(12-14)21(28-27-17)18-11-13-5-1-2-6-16(13)26-18/h1-12,26H,(H,27,28)(H,29,30)
InChIKeyRXMDVEVLAVOJPB-UHFFFAOYSA-N
XLogP5.50
TPSA100.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.35
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-3-(6-methoxy-1H-indol-2-yl)-1H-indazole
CID 136032600
3-(6-methoxy-1H-indol-2-yl)-1H-indazole
CID 136032615
3-(5-methoxy-1H-indol-2-yl)-1H-indazole
CID 136199382
3-(5-fluoro-1H-indol-2-yl)-6-(trifluoromethoxy)-1H-indazole
CID 137658836
3-(7-methoxy-1H-indol-2-yl)-1H-indazole
CID 136032578
3-(1H-indol-2-yl)-5-[methoxy-[2-(trifluoromethoxy)phenyl]phosphoryl]oxy-1H-indazole
CID 136055993
[3-(1H-indol-2-yl)-1H-indazol-5-yl] 2-(trifluoromethoxy)benzenesulfonate
CID 136337586
5-phenylmethoxy-3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-indazole;2,2,2-trifluoroacetic acid
CID 136397008
5-methoxy-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-2-phenyl-1H-indole
CID 178250867
3-[5-(2-bromoethoxy)-1-methylindol-2-yl]-5-phenylmethoxy-1H-indazole
CID 57562433
2-(1,2-Dihydro-3H-pyrazol-3-ylidene)-5-methoxy-2H-indole
CID 135496116
Phenylphosphonic Acid Mono-[3-(1H-indol-2-yl)-1H-indazol-5-yl]Ester
CID 135519383

Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-[2-(trifluoromethoxy)phenyl]phosphinic acid?
The IUPAC name of [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-[2-(trifluoromethoxy)phenyl]phosphinic acid (CID 141116637) is [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-[2-(trifluoromethoxy)phenyl]phosphinic acid.
What is the SMILES notation for [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-[2-(trifluoromethoxy)phenyl]phosphinic acid?
The canonical SMILES for [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-[2-(trifluoromethoxy)phenyl]phosphinic acid is O=P(O)(Oc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)c1ccccc1OC(F)(F)F.
What is the InChIKey of [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-[2-(trifluoromethoxy)phenyl]phosphinic acid?
The InChIKey is RXMDVEVLAVOJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N3O4P/c23-22(24,25)31-19-7-3-4-8-20(19)33(29,30)32-14-9-10-17-15(12-14)21(28-27-17)18-11-13-5-1-2-6-16(13)26-18/h1-12,26H,(H,27,28)(H,29,30).
What are the key properties of [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-[2-(trifluoromethoxy)phenyl]phosphinic acid?
[3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-[2-(trifluoromethoxy)phenyl]phosphinic acid has a molecular weight of 473.35 g/mol, XLogP of 5.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indol-2-yl)-1H-indazol-5-yl]oxy-[2-(trifluoromethoxy)phenyl]phosphinic acid is sourced from PubChem (CID 141116637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).