tributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane

C19H32FN3Sn — CID 178139829

IUPACtributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nc2cnn(C)c2cc1F
InChIInChI=1S/C7H5FN3.3C4H9.Sn/c1-11-7-2-5(8)3-9-6(7)4-10-11;3*1-3-4-2;/h2,4H,1H3;3*1,3-4H2,2H3;
InChIKeyPJXICKDYXYVUOE-UHFFFAOYSA-N
MW440.20 g/mol
LogP5.16
Rot. Bonds10

About tributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane

tributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane (PubChem CID 178139829) has the molecular formula C19H32FN3Sn and a molecular weight of 440.20 g/mol. Its IUPAC name is tributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane.

Molecular Properties

Compound Nametributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane
PubChem CID178139829
Molecular FormulaC19H32FN3Sn
Molecular Weight440.20 g/mol
Exact Mass441.16
IUPAC Nametributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nc2cnn(C)c2cc1F
InChIInChI=1S/C7H5FN3.3C4H9.Sn/c1-11-7-2-5(8)3-9-6(7)4-10-11;3*1-3-4-2;/h2,4H,1H3;3*1,3-4H2,2H3;
InChIKeyPJXICKDYXYVUOE-UHFFFAOYSA-N
XLogP5.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.20
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane?
The IUPAC name of tributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane (CID 178139829) is tributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane.
What is the SMILES notation for tributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane?
The canonical SMILES for tributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1nc2cnn(C)c2cc1F.
What is the InChIKey of tributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane?
The InChIKey is PJXICKDYXYVUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN3.3C4H9.Sn/c1-11-7-2-5(8)3-9-6(7)4-10-11;3*1-3-4-2;/h2,4H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane?
tributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane has a molecular weight of 440.20 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane is sourced from PubChem (CID 178139829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).