tributyl-[4-(oxan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]stannane

C23H39N3OSn — CID 90021160

IUPACtributyl-[4-(oxan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc2[nH]ncc2c(C2CCCCO2)n1
InChIInChI=1S/C11H12N3O.3C4H9.Sn/c1-2-6-15-10(3-1)11-8-7-13-14-9(8)4-5-12-11;3*1-3-4-2;/h4,7,10H,1-3,6H2,(H,13,14);3*1,3-4H2,2H3;
InChIKeyQFSXPYPTQNPEJG-UHFFFAOYSA-N
MW492.30 g/mol
LogP6.26
Rot. Bonds11

About tributyl-[4-(oxan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]stannane

tributyl-[4-(oxan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]stannane (PubChem CID 90021160) has the molecular formula C23H39N3OSn and a molecular weight of 492.30 g/mol. Its IUPAC name is tributyl-[4-(oxan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]stannane.

Molecular Properties

Compound Nametributyl-[4-(oxan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]stannane
PubChem CID90021160
Molecular FormulaC23H39N3OSn
Molecular Weight492.30 g/mol
Exact Mass493.21
IUPAC Nametributyl-[4-(oxan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc2[nH]ncc2c(C2CCCCO2)n1
InChIInChI=1S/C11H12N3O.3C4H9.Sn/c1-2-6-15-10(3-1)11-8-7-13-14-9(8)4-5-12-11;3*1-3-4-2;/h4,7,10H,1-3,6H2,(H,13,14);3*1,3-4H2,2H3;
InChIKeyQFSXPYPTQNPEJG-UHFFFAOYSA-N
XLogP6.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.30
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-[4-(oxan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]stannane?
The IUPAC name of tributyl-[4-(oxan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]stannane (CID 90021160) is tributyl-[4-(oxan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]stannane.
What is the SMILES notation for tributyl-[4-(oxan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]stannane?
The canonical SMILES for tributyl-[4-(oxan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cc2[nH]ncc2c(C2CCCCO2)n1.
What is the InChIKey of tributyl-[4-(oxan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]stannane?
The InChIKey is QFSXPYPTQNPEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N3O.3C4H9.Sn/c1-2-6-15-10(3-1)11-8-7-13-14-9(8)4-5-12-11;3*1-3-4-2;/h4,7,10H,1-3,6H2,(H,13,14);3*1,3-4H2,2H3;.
What are the key properties of tributyl-[4-(oxan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]stannane?
tributyl-[4-(oxan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]stannane has a molecular weight of 492.30 g/mol, XLogP of 6.26, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[4-(oxan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]stannane is sourced from PubChem (CID 90021160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).