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

C23H23ClF2N4O2 — CID 142752446

IUPAC5-fluoro-3-[(3E)-5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride
SMILESCl.Oc1[nH]c2ccc(F)cc2c1C1=Nc2ccc(F)cc2/C1=N\OCCN1CCCCC1
InChIInChI=1S/C23H22F2N4O2.ClH/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;1H/b28-21+;
InChIKeyKSFVXJRVWONSAF-HUPDFLJJSA-N
MW460.91 g/mol
LogP4.91
Rot. Bonds5

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

5-fluoro-3-[(3E)-5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride (PubChem CID 142752446) has the molecular formula C23H23ClF2N4O2 and a molecular weight of 460.91 g/mol. Its IUPAC name is 5-fluoro-3-[(3E)-5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride.

Molecular Properties

Compound Name5-fluoro-3-[(3E)-5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride
PubChem CID142752446
Molecular FormulaC23H23ClF2N4O2
Molecular Weight460.91 g/mol
Exact Mass460.15
IUPAC Name5-fluoro-3-[(3E)-5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride
SMILESCl.Oc1[nH]c2ccc(F)cc2c1C1=Nc2ccc(F)cc2/C1=N\OCCN1CCCCC1
InChIInChI=1S/C23H22F2N4O2.ClH/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;1H/b28-21+;
InChIKeyKSFVXJRVWONSAF-HUPDFLJJSA-N
XLogP4.91
TPSA73.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.91
LogP ≤ 54.91
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)-5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride?
The IUPAC name of 5-fluoro-3-[(3E)-5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride (CID 142752446) is 5-fluoro-3-[(3E)-5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride.
What is the SMILES notation for 5-fluoro-3-[(3E)-5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride?
The canonical SMILES for 5-fluoro-3-[(3E)-5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride is Cl.Oc1[nH]c2ccc(F)cc2c1C1=Nc2ccc(F)cc2/C1=N\OCCN1CCCCC1.
What is the InChIKey of 5-fluoro-3-[(3E)-5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride?
The InChIKey is KSFVXJRVWONSAF-HUPDFLJJSA-N. The full InChI is InChI=1S/C23H22F2N4O2.ClH/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;1H/b28-21+;.
What are the key properties of 5-fluoro-3-[(3E)-5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride?
5-fluoro-3-[(3E)-5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride has a molecular weight of 460.91 g/mol, XLogP of 4.91, 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)-5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride is sourced from PubChem (CID 142752446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).