1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone

C24H31N7O — CID 71045653

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone
SMILESO=C(CN1CCn2c(nc3c2=CCC(c2cccnn2)C=3)C1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H31N7O/c32-24(30-12-10-29(11-13-30)19-3-1-4-19)17-28-9-14-31-22-7-6-18(20-5-2-8-25-27-20)15-21(22)26-23(31)16-28/h2,5,7-8,15,18-19H,1,3-4,6,9-14,16-17H2
InChIKeyAXDFCWHRAYTETM-UHFFFAOYSA-N
MW433.56 g/mol
LogP-0.07
Rot. Bonds4

About 1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone (PubChem CID 71045653) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone
PubChem CID71045653
Molecular FormulaC24H31N7O
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone
SMILESO=C(CN1CCn2c(nc3c2=CCC(c2cccnn2)C=3)C1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H31N7O/c32-24(30-12-10-29(11-13-30)19-3-1-4-19)17-28-9-14-31-22-7-6-18(20-5-2-8-25-27-20)15-21(22)26-23(31)16-28/h2,5,7-8,15,18-19H,1,3-4,6,9-14,16-17H2
InChIKeyAXDFCWHRAYTETM-UHFFFAOYSA-N
XLogP-0.07
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-cyclobutylpiperazin-1-yl)-2-(1,3,4,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-11-yl)ethanone
CID 58090880
1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone
CID 58090895
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 57442873
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 57443053
2-[4-[2-(4-chlorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442664
1-(4-cyclopentylpiperazin-1-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420589
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-pyrimidin-5-ylphenyl)piperazin-1-yl]ethanone
CID 57443163
1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one
CID 58826302
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 58826275
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 57442725
1-(4-cyclobutylpiperazin-1-yl)-2-(11-cyclopropyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)ethanone
CID 58090907
1-(4-cyclobutylpiperazin-1-yl)-2-(6-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420859

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone (CID 71045653) is 1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone is O=C(CN1CCn2c(nc3c2=CCC(c2cccnn2)C=3)C1)N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone?
The InChIKey is AXDFCWHRAYTETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O/c32-24(30-12-10-29(11-13-30)19-3-1-4-19)17-28-9-14-31-22-7-6-18(20-5-2-8-25-27-20)15-21(22)26-23(31)16-28/h2,5,7-8,15,18-19H,1,3-4,6,9-14,16-17H2.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone has a molecular weight of 433.56 g/mol, XLogP of -0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone is sourced from PubChem (CID 71045653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).