tributyl-(6-fluoro-1-piperidin-4-ylindazol-3-yl)stannane

C24H40FN3Sn — CID 71575445

IUPACtributyl-(6-fluoro-1-piperidin-4-ylindazol-3-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nn(C2CCNCC2)c2cc(F)ccc12
InChIInChI=1S/C12H13FN3.3C4H9.Sn/c13-10-2-1-9-8-15-16(12(9)7-10)11-3-5-14-6-4-11;3*1-3-4-2;/h1-2,7,11,14H,3-6H2;3*1,3-4H2,2H3;
InChIKeyGXYFDJHXLFUPMY-UHFFFAOYSA-N
MW508.31 g/mol
LogP6.16
Rot. Bonds11

About tributyl-(6-fluoro-1-piperidin-4-ylindazol-3-yl)stannane

tributyl-(6-fluoro-1-piperidin-4-ylindazol-3-yl)stannane (PubChem CID 71575445) has the molecular formula C24H40FN3Sn and a molecular weight of 508.31 g/mol. Its IUPAC name is tributyl-(6-fluoro-1-piperidin-4-ylindazol-3-yl)stannane.

Molecular Properties

Compound Nametributyl-(6-fluoro-1-piperidin-4-ylindazol-3-yl)stannane
PubChem CID71575445
Molecular FormulaC24H40FN3Sn
Molecular Weight508.31 g/mol
Exact Mass509.22
IUPAC Nametributyl-(6-fluoro-1-piperidin-4-ylindazol-3-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nn(C2CCNCC2)c2cc(F)ccc12
InChIInChI=1S/C12H13FN3.3C4H9.Sn/c13-10-2-1-9-8-15-16(12(9)7-10)11-3-5-14-6-4-11;3*1-3-4-2;/h1-2,7,11,14H,3-6H2;3*1,3-4H2,2H3;
InChIKeyGXYFDJHXLFUPMY-UHFFFAOYSA-N
XLogP6.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.31
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tributyl-(6-fluoro-1-piperidin-4-ylindazol-3-yl)stannane 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 tributyl-(6-fluoro-1-piperidin-4-ylindazol-3-yl)stannane?
The IUPAC name of tributyl-(6-fluoro-1-piperidin-4-ylindazol-3-yl)stannane (CID 71575445) is tributyl-(6-fluoro-1-piperidin-4-ylindazol-3-yl)stannane.
What is the SMILES notation for tributyl-(6-fluoro-1-piperidin-4-ylindazol-3-yl)stannane?
The canonical SMILES for tributyl-(6-fluoro-1-piperidin-4-ylindazol-3-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1nn(C2CCNCC2)c2cc(F)ccc12.
What is the InChIKey of tributyl-(6-fluoro-1-piperidin-4-ylindazol-3-yl)stannane?
The InChIKey is GXYFDJHXLFUPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN3.3C4H9.Sn/c13-10-2-1-9-8-15-16(12(9)7-10)11-3-5-14-6-4-11;3*1-3-4-2;/h1-2,7,11,14H,3-6H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(6-fluoro-1-piperidin-4-ylindazol-3-yl)stannane?
tributyl-(6-fluoro-1-piperidin-4-ylindazol-3-yl)stannane has a molecular weight of 508.31 g/mol, XLogP of 6.16, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(6-fluoro-1-piperidin-4-ylindazol-3-yl)stannane is sourced from PubChem (CID 71575445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).