6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine

C21H14BrFN4S — CID 87968546

IUPAC6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine
SMILESFc1cccc(Cn2ncc3cc(Nc4nc(Br)cc5sccc45)ccc32)c1
InChIInChI=1S/C21H14BrFN4S/c22-20-10-19-17(6-7-28-19)21(26-20)25-16-4-5-18-14(9-16)11-24-27(18)12-13-2-1-3-15(23)8-13/h1-11H,12H2,(H,25,26)
InChIKeyKIDYLDKBWYHDFL-UHFFFAOYSA-N
MW453.34 g/mol
LogP6.34
Rot. Bonds4

About 6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine

6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine (PubChem CID 87968546) has the molecular formula C21H14BrFN4S and a molecular weight of 453.34 g/mol. Its IUPAC name is 6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine
PubChem CID87968546
Molecular FormulaC21H14BrFN4S
Molecular Weight453.34 g/mol
Exact Mass452.01
IUPAC Name6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine
SMILESFc1cccc(Cn2ncc3cc(Nc4nc(Br)cc5sccc45)ccc32)c1
InChIInChI=1S/C21H14BrFN4S/c22-20-10-19-17(6-7-28-19)21(26-20)25-16-4-5-18-14(9-16)11-24-27(18)12-13-2-1-3-15(23)8-13/h1-11H,12H2,(H,25,26)
InChIKeyKIDYLDKBWYHDFL-UHFFFAOYSA-N
XLogP6.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine 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 6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine (CID 87968546) is 6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine is Fc1cccc(Cn2ncc3cc(Nc4nc(Br)cc5sccc45)ccc32)c1.
What is the InChIKey of 6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is KIDYLDKBWYHDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrFN4S/c22-20-10-19-17(6-7-28-19)21(26-20)25-16-4-5-18-14(9-16)11-24-27(18)12-13-2-1-3-15(23)8-13/h1-11H,12H2,(H,25,26).
What are the key properties of 6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine?
6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 453.34 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 87968546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).