3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one

C15H19N5O — CID 23070898

IUPAC3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one
SMILESCC#CCn1c(N2CCNCC2)nc2ccn(C)c(=O)c21
InChIInChI=1S/C15H19N5O/c1-3-4-8-20-13-12(5-9-18(2)14(13)21)17-15(20)19-10-6-16-7-11-19/h5,9,16H,6-8,10-11H2,1-2H3
InChIKeyWYFONLBZXVYUTR-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.17
Rot. Bonds2

About 3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one

3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one (PubChem CID 23070898) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one
PubChem CID23070898
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one
SMILESCC#CCn1c(N2CCNCC2)nc2ccn(C)c(=O)c21
InChIInChI=1S/C15H19N5O/c1-3-4-8-20-13-12(5-9-18(2)14(13)21)17-15(20)19-10-6-16-7-11-19/h5,9,16H,6-8,10-11H2,1-2H3
InChIKeyWYFONLBZXVYUTR-UHFFFAOYSA-N
XLogP0.17
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one?
The IUPAC name of 3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one (CID 23070898) is 3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one is CC#CCn1c(N2CCNCC2)nc2ccn(C)c(=O)c21.
What is the InChIKey of 3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one?
The InChIKey is WYFONLBZXVYUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-4-8-20-13-12(5-9-18(2)14(13)21)17-15(20)19-10-6-16-7-11-19/h5,9,16H,6-8,10-11H2,1-2H3.
What are the key properties of 3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one?
3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one has a molecular weight of 285.35 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-ynyl-5-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 23070898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).