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

C22H18F2N4O — CID 135605354

IUPAC4-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2cccc(F)c2c1/C=N/c1ccc(NCCc2ccncc2)c(F)c1
InChIInChI=1S/C22H18F2N4O/c23-17-2-1-3-20-21(17)16(22(29)28-20)13-27-15-4-5-19(18(24)12-15)26-11-8-14-6-9-25-10-7-14/h1-7,9-10,12-13,26,28-29H,8,11H2/b27-13+
InChIKeyPGLSSUZNSZAUSP-UVHMKAGCSA-N
MW392.41 g/mol
LogP4.95
Rot. Bonds6

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

4-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol (PubChem CID 135605354) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name4-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
PubChem CID135605354
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name4-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2cccc(F)c2c1/C=N/c1ccc(NCCc2ccncc2)c(F)c1
InChIInChI=1S/C22H18F2N4O/c23-17-2-1-3-20-21(17)16(22(29)28-20)13-27-15-4-5-19(18(24)12-15)26-11-8-14-6-9-25-10-7-14/h1-7,9-10,12-13,26,28-29H,8,11H2/b27-13+
InChIKeyPGLSSUZNSZAUSP-UVHMKAGCSA-N
XLogP4.95
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-3-[[3-fluoro-4-(2-pyridin-4-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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol?
The IUPAC name of 4-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol (CID 135605354) is 4-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 4-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 4-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol is Oc1[nH]c2cccc(F)c2c1/C=N/c1ccc(NCCc2ccncc2)c(F)c1.
What is the InChIKey of 4-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol?
The InChIKey is PGLSSUZNSZAUSP-UVHMKAGCSA-N. The full InChI is InChI=1S/C22H18F2N4O/c23-17-2-1-3-20-21(17)16(22(29)28-20)13-27-15-4-5-19(18(24)12-15)26-11-8-14-6-9-25-10-7-14/h1-7,9-10,12-13,26,28-29H,8,11H2/b27-13+.
What are the key properties of 4-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol?
4-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol has a molecular weight of 392.41 g/mol, XLogP of 4.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 135605354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).