[6-formamido-3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite

C15H11FN6O2S — CID 163251152

IUPAC[6-formamido-3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
SMILESCOc1c(-c2cn(SF)c3nc(NC=O)ccc23)ccn2ncnc12
InChIInChI=1S/C15H11FN6O2S/c1-24-13-9(4-5-21-15(13)17-7-19-21)11-6-22(25-16)14-10(11)2-3-12(20-14)18-8-23/h2-8H,1H3,(H,18,20,23)
InChIKeyMBNCSRQKPOTGSX-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.70
Rot. Bonds5

About [6-formamido-3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite

[6-formamido-3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite (PubChem CID 163251152) has the molecular formula C15H11FN6O2S and a molecular weight of 358.36 g/mol. Its IUPAC name is [6-formamido-3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[6-formamido-3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
PubChem CID163251152
Molecular FormulaC15H11FN6O2S
Molecular Weight358.36 g/mol
Exact Mass358.06
IUPAC Name[6-formamido-3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
SMILESCOc1c(-c2cn(SF)c3nc(NC=O)ccc23)ccn2ncnc12
InChIInChI=1S/C15H11FN6O2S/c1-24-13-9(4-5-21-15(13)17-7-19-21)11-6-22(25-16)14-10(11)2-3-12(20-14)18-8-23/h2-8H,1H3,(H,18,20,23)
InChIKeyMBNCSRQKPOTGSX-UHFFFAOYSA-N
XLogP2.70
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-formamido-3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The IUPAC name of [6-formamido-3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite (CID 163251152) is [6-formamido-3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite.
What is the SMILES notation for [6-formamido-3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The canonical SMILES for [6-formamido-3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite is COc1c(-c2cn(SF)c3nc(NC=O)ccc23)ccn2ncnc12.
What is the InChIKey of [6-formamido-3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The InChIKey is MBNCSRQKPOTGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6O2S/c1-24-13-9(4-5-21-15(13)17-7-19-21)11-6-22(25-16)14-10(11)2-3-12(20-14)18-8-23/h2-8H,1H3,(H,18,20,23).
What are the key properties of [6-formamido-3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
[6-formamido-3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite has a molecular weight of 358.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-formamido-3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite is sourced from PubChem (CID 163251152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).