4-[(3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide

C19H23N7O2 — CID 70859946

IUPAC4-[(3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide
SMILESCCn1c(N2CCNCC2)nc2cnn(Cc3ccc(C(N)=O)cc3)c(=O)c21
InChIInChI=1S/C19H23N7O2/c1-2-25-16-15(23-19(25)24-9-7-21-8-10-24)11-22-26(18(16)28)12-13-3-5-14(6-4-13)17(20)27/h3-6,11,21H,2,7-10,12H2,1H3,(H2,20,27)
InChIKeyVOYMWLJIBKBNSP-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.17
Rot. Bonds5

About 4-[(3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide

4-[(3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide (PubChem CID 70859946) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[(3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide
PubChem CID70859946
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name4-[(3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide
SMILESCCn1c(N2CCNCC2)nc2cnn(Cc3ccc(C(N)=O)cc3)c(=O)c21
InChIInChI=1S/C19H23N7O2/c1-2-25-16-15(23-19(25)24-9-7-21-8-10-24)11-22-26(18(16)28)12-13-3-5-14(6-4-13)17(20)27/h3-6,11,21H,2,7-10,12H2,1H3,(H2,20,27)
InChIKeyVOYMWLJIBKBNSP-UHFFFAOYSA-N
XLogP0.17
TPSA111.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide?
The IUPAC name of 4-[(3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide (CID 70859946) is 4-[(3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide.
What is the SMILES notation for 4-[(3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide?
The canonical SMILES for 4-[(3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide is CCn1c(N2CCNCC2)nc2cnn(Cc3ccc(C(N)=O)cc3)c(=O)c21.
What is the InChIKey of 4-[(3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide?
The InChIKey is VOYMWLJIBKBNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-2-25-16-15(23-19(25)24-9-7-21-8-10-24)11-22-26(18(16)28)12-13-3-5-14(6-4-13)17(20)27/h3-6,11,21H,2,7-10,12H2,1H3,(H2,20,27).
What are the key properties of 4-[(3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide?
4-[(3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide has a molecular weight of 381.44 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide is sourced from PubChem (CID 70859946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).