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

C23H22F2N4O2 — CID 142579241

IUPAC5-fluoro-3-[5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1C1=Nc2ccc(F)cc2C1=NOCCN1CCCCC1
InChIInChI=1S/C23H22F2N4O2/c24-14-4-6-18-16(12-14)20(23(30)27-18)22-21(17-13-15(25)5-7-19(17)26-22)28-31-11-10-29-8-2-1-3-9-29/h4-7,12-13,27,30H,1-3,8-11H2
InChIKeyAXCLGEKRAQVTIL-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.49
Rot. Bonds5

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

5-fluoro-3-[5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol (PubChem CID 142579241) has the molecular formula C23H22F2N4O2 and a molecular weight of 424.45 g/mol. Its IUPAC name is 5-fluoro-3-[5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-fluoro-3-[5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
PubChem CID142579241
Molecular FormulaC23H22F2N4O2
Molecular Weight424.45 g/mol
Exact Mass424.17
IUPAC Name5-fluoro-3-[5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1C1=Nc2ccc(F)cc2C1=NOCCN1CCCCC1
InChIInChI=1S/C23H22F2N4O2/c24-14-4-6-18-16(12-14)20(23(30)27-18)22-21(17-13-15(25)5-7-19(17)26-22)28-31-11-10-29-8-2-1-3-9-29/h4-7,12-13,27,30H,1-3,8-11H2
InChIKeyAXCLGEKRAQVTIL-UHFFFAOYSA-N
XLogP4.49
TPSA73.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.49
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-[5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol?
The IUPAC name of 5-fluoro-3-[5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol (CID 142579241) is 5-fluoro-3-[5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol.
What is the SMILES notation for 5-fluoro-3-[5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol?
The canonical SMILES for 5-fluoro-3-[5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol is Oc1[nH]c2ccc(F)cc2c1C1=Nc2ccc(F)cc2C1=NOCCN1CCCCC1.
What is the InChIKey of 5-fluoro-3-[5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol?
The InChIKey is AXCLGEKRAQVTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2/c24-14-4-6-18-16(12-14)20(23(30)27-18)22-21(17-13-15(25)5-7-19(17)26-22)28-31-11-10-29-8-2-1-3-9-29/h4-7,12-13,27,30H,1-3,8-11H2.
What are the key properties of 5-fluoro-3-[5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol?
5-fluoro-3-[5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol has a molecular weight of 424.45 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol is sourced from PubChem (CID 142579241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).