3-[5-(2-amino-6-fluoroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide

C26H27FN6O2 — CID 117076191

IUPAC3-[5-(2-amino-6-fluoroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESNc1cccc(F)c1Nc1ccc2c(cnn2-c2cccc(C(=O)NCCN3CCOCC3)c2)c1
InChIInChI=1S/C26H27FN6O2/c27-22-5-2-6-23(28)25(22)31-20-7-8-24-19(15-20)17-30-33(24)21-4-1-3-18(16-21)26(34)29-9-10-32-11-13-35-14-12-32/h1-8,15-17,31H,9-14,28H2,(H,29,34)
InChIKeyAERPJRRHEXXNOR-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.55
Rot. Bonds7

About 3-[5-(2-amino-6-fluoroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide

3-[5-(2-amino-6-fluoroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 117076191) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 3-[5-(2-amino-6-fluoroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[5-(2-amino-6-fluoroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID117076191
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name3-[5-(2-amino-6-fluoroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESNc1cccc(F)c1Nc1ccc2c(cnn2-c2cccc(C(=O)NCCN3CCOCC3)c2)c1
InChIInChI=1S/C26H27FN6O2/c27-22-5-2-6-23(28)25(22)31-20-7-8-24-19(15-20)17-30-33(24)21-4-1-3-18(16-21)26(34)29-9-10-32-11-13-35-14-12-32/h1-8,15-17,31H,9-14,28H2,(H,29,34)
InChIKeyAERPJRRHEXXNOR-UHFFFAOYSA-N
XLogP3.55
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[5-(2-amino-6-fluoroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide 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 3-[5-(2-amino-6-fluoroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-[5-(2-amino-6-fluoroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide (CID 117076191) is 3-[5-(2-amino-6-fluoroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[5-(2-amino-6-fluoroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-[5-(2-amino-6-fluoroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide is Nc1cccc(F)c1Nc1ccc2c(cnn2-c2cccc(C(=O)NCCN3CCOCC3)c2)c1.
What is the InChIKey of 3-[5-(2-amino-6-fluoroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is AERPJRRHEXXNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2/c27-22-5-2-6-23(28)25(22)31-20-7-8-24-19(15-20)17-30-33(24)21-4-1-3-18(16-21)26(34)29-9-10-32-11-13-35-14-12-32/h1-8,15-17,31H,9-14,28H2,(H,29,34).
What are the key properties of 3-[5-(2-amino-6-fluoroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
3-[5-(2-amino-6-fluoroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 474.54 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-amino-6-fluoroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 117076191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).