3-ethyl-5-(2-oxo-2-pyridin-2-ylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one

C18H21N7O2 — CID 70860130

IUPAC3-ethyl-5-(2-oxo-2-pyridin-2-ylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one
SMILESCCn1c(N2CCNCC2)nc2cnn(CC(=O)c3ccccn3)c(=O)c21
InChIInChI=1S/C18H21N7O2/c1-2-24-16-14(22-18(24)23-9-7-19-8-10-23)11-21-25(17(16)27)12-15(26)13-5-3-4-6-20-13/h3-6,11,19H,2,7-10,12H2,1H3
InChIKeyDKOAUCSKWMFOPI-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.30
Rot. Bonds5

About 3-ethyl-5-(2-oxo-2-pyridin-2-ylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one

3-ethyl-5-(2-oxo-2-pyridin-2-ylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one (PubChem CID 70860130) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-ethyl-5-(2-oxo-2-pyridin-2-ylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name3-ethyl-5-(2-oxo-2-pyridin-2-ylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one
PubChem CID70860130
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name3-ethyl-5-(2-oxo-2-pyridin-2-ylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one
SMILESCCn1c(N2CCNCC2)nc2cnn(CC(=O)c3ccccn3)c(=O)c21
InChIInChI=1S/C18H21N7O2/c1-2-24-16-14(22-18(24)23-9-7-19-8-10-23)11-21-25(17(16)27)12-15(26)13-5-3-4-6-20-13/h3-6,11,19H,2,7-10,12H2,1H3
InChIKeyDKOAUCSKWMFOPI-UHFFFAOYSA-N
XLogP0.30
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2-oxo-2-pyridin-2-ylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one?
The IUPAC name of 3-ethyl-5-(2-oxo-2-pyridin-2-ylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one (CID 70860130) is 3-ethyl-5-(2-oxo-2-pyridin-2-ylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 3-ethyl-5-(2-oxo-2-pyridin-2-ylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one?
The canonical SMILES for 3-ethyl-5-(2-oxo-2-pyridin-2-ylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one is CCn1c(N2CCNCC2)nc2cnn(CC(=O)c3ccccn3)c(=O)c21.
What is the InChIKey of 3-ethyl-5-(2-oxo-2-pyridin-2-ylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one?
The InChIKey is DKOAUCSKWMFOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-2-24-16-14(22-18(24)23-9-7-19-8-10-23)11-21-25(17(16)27)12-15(26)13-5-3-4-6-20-13/h3-6,11,19H,2,7-10,12H2,1H3.
What are the key properties of 3-ethyl-5-(2-oxo-2-pyridin-2-ylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one?
3-ethyl-5-(2-oxo-2-pyridin-2-ylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one has a molecular weight of 367.41 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2-oxo-2-pyridin-2-ylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 70860130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).