[4-methyl-7-(methylaminomethyl)pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite

C9H11FN4S — CID 169119643

IUPAC[4-methyl-7-(methylaminomethyl)pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite
SMILESCNCc1cnc(C)c2cnn(SF)c12
InChIInChI=1S/C9H11FN4S/c1-6-8-5-13-14(15-10)9(8)7(3-11-2)4-12-6/h4-5,11H,3H2,1-2H3
InChIKeyKODPTWFSDRMOKY-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.84
Rot. Bonds3

About [4-methyl-7-(methylaminomethyl)pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite

[4-methyl-7-(methylaminomethyl)pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite (PubChem CID 169119643) has the molecular formula C9H11FN4S and a molecular weight of 226.28 g/mol. Its IUPAC name is [4-methyl-7-(methylaminomethyl)pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[4-methyl-7-(methylaminomethyl)pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite
PubChem CID169119643
Molecular FormulaC9H11FN4S
Molecular Weight226.28 g/mol
Exact Mass226.07
IUPAC Name[4-methyl-7-(methylaminomethyl)pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite
SMILESCNCc1cnc(C)c2cnn(SF)c12
InChIInChI=1S/C9H11FN4S/c1-6-8-5-13-14(15-10)9(8)7(3-11-2)4-12-6/h4-5,11H,3H2,1-2H3
InChIKeyKODPTWFSDRMOKY-UHFFFAOYSA-N
XLogP1.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-7-(methylaminomethyl)pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite?
The IUPAC name of [4-methyl-7-(methylaminomethyl)pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite (CID 169119643) is [4-methyl-7-(methylaminomethyl)pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite.
What is the SMILES notation for [4-methyl-7-(methylaminomethyl)pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite?
The canonical SMILES for [4-methyl-7-(methylaminomethyl)pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite is CNCc1cnc(C)c2cnn(SF)c12.
What is the InChIKey of [4-methyl-7-(methylaminomethyl)pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite?
The InChIKey is KODPTWFSDRMOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4S/c1-6-8-5-13-14(15-10)9(8)7(3-11-2)4-12-6/h4-5,11H,3H2,1-2H3.
What are the key properties of [4-methyl-7-(methylaminomethyl)pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite?
[4-methyl-7-(methylaminomethyl)pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite has a molecular weight of 226.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-7-(methylaminomethyl)pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite is sourced from PubChem (CID 169119643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).