formic acid;8-piperazin-1-ylimidazo[1,5-a]pyridine-6-sulfonamide

C12H17N5O4S — CID 175881645

IUPACformic acid;8-piperazin-1-ylimidazo[1,5-a]pyridine-6-sulfonamide
SMILESNS(=O)(=O)c1cc(N2CCNCC2)c2cncn2c1.O=CO
InChIInChI=1S/C11H15N5O2S.CH2O2/c12-19(17,18)9-5-10(15-3-1-13-2-4-15)11-6-14-8-16(11)7-9;2-1-3/h5-8,13H,1-4H2,(H2,12,17,18);1H,(H,2,3)
InChIKeyZYNUECWPZNJIFD-UHFFFAOYSA-N
MW327.37 g/mol
LogP-0.91
Rot. Bonds2

About formic acid;8-piperazin-1-ylimidazo[1,5-a]pyridine-6-sulfonamide

formic acid;8-piperazin-1-ylimidazo[1,5-a]pyridine-6-sulfonamide (PubChem CID 175881645) has the molecular formula C12H17N5O4S and a molecular weight of 327.37 g/mol. Its IUPAC name is formic acid;8-piperazin-1-ylimidazo[1,5-a]pyridine-6-sulfonamide.

Molecular Properties

Compound Nameformic acid;8-piperazin-1-ylimidazo[1,5-a]pyridine-6-sulfonamide
PubChem CID175881645
Molecular FormulaC12H17N5O4S
Molecular Weight327.37 g/mol
Exact Mass327.10
IUPAC Nameformic acid;8-piperazin-1-ylimidazo[1,5-a]pyridine-6-sulfonamide
SMILESNS(=O)(=O)c1cc(N2CCNCC2)c2cncn2c1.O=CO
InChIInChI=1S/C11H15N5O2S.CH2O2/c12-19(17,18)9-5-10(15-3-1-13-2-4-15)11-6-14-8-16(11)7-9;2-1-3/h5-8,13H,1-4H2,(H2,12,17,18);1H,(H,2,3)
InChIKeyZYNUECWPZNJIFD-UHFFFAOYSA-N
XLogP-0.91
TPSA130.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;8-piperazin-1-ylimidazo[1,5-a]pyridine-6-sulfonamide?
The IUPAC name of formic acid;8-piperazin-1-ylimidazo[1,5-a]pyridine-6-sulfonamide (CID 175881645) is formic acid;8-piperazin-1-ylimidazo[1,5-a]pyridine-6-sulfonamide.
What is the SMILES notation for formic acid;8-piperazin-1-ylimidazo[1,5-a]pyridine-6-sulfonamide?
The canonical SMILES for formic acid;8-piperazin-1-ylimidazo[1,5-a]pyridine-6-sulfonamide is NS(=O)(=O)c1cc(N2CCNCC2)c2cncn2c1.O=CO.
What is the InChIKey of formic acid;8-piperazin-1-ylimidazo[1,5-a]pyridine-6-sulfonamide?
The InChIKey is ZYNUECWPZNJIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S.CH2O2/c12-19(17,18)9-5-10(15-3-1-13-2-4-15)11-6-14-8-16(11)7-9;2-1-3/h5-8,13H,1-4H2,(H2,12,17,18);1H,(H,2,3).
What are the key properties of formic acid;8-piperazin-1-ylimidazo[1,5-a]pyridine-6-sulfonamide?
formic acid;8-piperazin-1-ylimidazo[1,5-a]pyridine-6-sulfonamide has a molecular weight of 327.37 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;8-piperazin-1-ylimidazo[1,5-a]pyridine-6-sulfonamide is sourced from PubChem (CID 175881645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).