6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine

C16H14FIN4 — CID 170364630

IUPAC6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine
SMILESCC1CCNc2ccc(-c3n[nH]c4cc(I)c(F)cc34)nc21
InChIInChI=1S/C16H14FIN4/c1-8-4-5-19-12-2-3-13(20-15(8)12)16-9-6-10(17)11(18)7-14(9)21-22-16/h2-3,6-8,19H,4-5H2,1H3,(H,21,22)
InChIKeyJGVPOECGVKPAJO-UHFFFAOYSA-N
MW408.22 g/mol
LogP4.29
Rot. Bonds1

About 6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine

6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine (PubChem CID 170364630) has the molecular formula C16H14FIN4 and a molecular weight of 408.22 g/mol. Its IUPAC name is 6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine.

Molecular Properties

Compound Name6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine
PubChem CID170364630
Molecular FormulaC16H14FIN4
Molecular Weight408.22 g/mol
Exact Mass408.02
IUPAC Name6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine
SMILESCC1CCNc2ccc(-c3n[nH]c4cc(I)c(F)cc34)nc21
InChIInChI=1S/C16H14FIN4/c1-8-4-5-19-12-2-3-13(20-15(8)12)16-9-6-10(17)11(18)7-14(9)21-22-16/h2-3,6-8,19H,4-5H2,1H3,(H,21,22)
InChIKeyJGVPOECGVKPAJO-UHFFFAOYSA-N
XLogP4.29
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.22
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine 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-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine?
The IUPAC name of 6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine (CID 170364630) is 6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine.
What is the SMILES notation for 6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine?
The canonical SMILES for 6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine is CC1CCNc2ccc(-c3n[nH]c4cc(I)c(F)cc34)nc21.
What is the InChIKey of 6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine?
The InChIKey is JGVPOECGVKPAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FIN4/c1-8-4-5-19-12-2-3-13(20-15(8)12)16-9-6-10(17)11(18)7-14(9)21-22-16/h2-3,6-8,19H,4-5H2,1H3,(H,21,22).
What are the key properties of 6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine?
6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine has a molecular weight of 408.22 g/mol, XLogP of 4.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine is sourced from PubChem (CID 170364630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).