6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol

C22H19FN4O — CID 135605305

IUPAC6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2cc(F)ccc2c1/C=N/c1ccc(NCCc2cccnc2)cc1
InChIInChI=1S/C22H19FN4O/c23-16-3-8-19-20(22(28)27-21(19)12-16)14-26-18-6-4-17(5-7-18)25-11-9-15-2-1-10-24-13-15/h1-8,10,12-14,25,27-28H,9,11H2/b26-14+
InChIKeyPJEWQQWDHBZDKD-VULFUBBASA-N
MW374.42 g/mol
LogP4.81
Rot. Bonds6

About 6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol

6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol (PubChem CID 135605305) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
PubChem CID135605305
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2cc(F)ccc2c1/C=N/c1ccc(NCCc2cccnc2)cc1
InChIInChI=1S/C22H19FN4O/c23-16-3-8-19-20(22(28)27-21(19)12-16)14-26-18-6-4-17(5-7-18)25-11-9-15-2-1-10-24-13-15/h1-8,10,12-14,25,27-28H,9,11H2/b26-14+
InChIKeyPJEWQQWDHBZDKD-VULFUBBASA-N
XLogP4.81
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605106
3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol
CID 135605516
6-fluoro-N-(2-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294739
6-bromo-3-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135484624
N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 136996107
3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135604974
2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine
CID 135820349
4-fluoro-3-[[3-fluoro-4-[methyl(pyridin-3-ylmethyl)amino]phenyl]iminomethyl]-1H-indol-2-ol
CID 135605401
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline
CID 63265162
1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone
CID 113222580
3-chloro-4-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 83107487

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol?
The IUPAC name of 6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol (CID 135605305) is 6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol is Oc1[nH]c2cc(F)ccc2c1/C=N/c1ccc(NCCc2cccnc2)cc1.
What is the InChIKey of 6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol?
The InChIKey is PJEWQQWDHBZDKD-VULFUBBASA-N. The full InChI is InChI=1S/C22H19FN4O/c23-16-3-8-19-20(22(28)27-21(19)12-16)14-26-18-6-4-17(5-7-18)25-11-9-15-2-1-10-24-13-15/h1-8,10,12-14,25,27-28H,9,11H2/b26-14+.
What are the key properties of 6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol?
6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol has a molecular weight of 374.42 g/mol, XLogP of 4.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 135605305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).