5-fluoro-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol

C23H23FN4O2 — CID 142752500

IUPAC5-fluoro-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1C1=Nc2ccccc2/C1=N\OCCN1CCCCC1
InChIInChI=1S/C23H23FN4O2/c24-15-8-9-19-17(14-15)20(23(29)26-19)22-21(16-6-2-3-7-18(16)25-22)27-30-13-12-28-10-4-1-5-11-28/h2-3,6-9,14,26,29H,1,4-5,10-13H2/b27-21+
InChIKeyQRYYOCVWSYRLID-SZXQPVLSSA-N
MW406.46 g/mol
LogP4.35
Rot. Bonds5

About 5-fluoro-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol

5-fluoro-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol (PubChem CID 142752500) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 5-fluoro-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-fluoro-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
PubChem CID142752500
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name5-fluoro-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1C1=Nc2ccccc2/C1=N\OCCN1CCCCC1
InChIInChI=1S/C23H23FN4O2/c24-15-8-9-19-17(14-15)20(23(29)26-19)22-21(16-6-2-3-7-18(16)25-22)27-30-13-12-28-10-4-1-5-11-28/h2-3,6-9,14,26,29H,1,4-5,10-13H2/b27-21+
InChIKeyQRYYOCVWSYRLID-SZXQPVLSSA-N
XLogP4.35
TPSA73.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_A(9)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol?
The IUPAC name of 5-fluoro-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol (CID 142752500) is 5-fluoro-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol.
What is the SMILES notation for 5-fluoro-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol?
The canonical SMILES for 5-fluoro-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol is Oc1[nH]c2ccc(F)cc2c1C1=Nc2ccccc2/C1=N\OCCN1CCCCC1.
What is the InChIKey of 5-fluoro-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol?
The InChIKey is QRYYOCVWSYRLID-SZXQPVLSSA-N. The full InChI is InChI=1S/C23H23FN4O2/c24-15-8-9-19-17(14-15)20(23(29)26-19)22-21(16-6-2-3-7-18(16)25-22)27-30-13-12-28-10-4-1-5-11-28/h2-3,6-9,14,26,29H,1,4-5,10-13H2/b27-21+.
What are the key properties of 5-fluoro-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol?
5-fluoro-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol has a molecular weight of 406.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol is sourced from PubChem (CID 142752500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).