1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone

C27H40N6O — CID 70827224

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone
SMILESCCc1cccc(-c2ccc(N(CC)CCN(C)CC(=O)N3CCN(C4CCC4)CC3)nn2)c1
InChIInChI=1S/C27H40N6O/c1-4-22-8-6-9-23(20-22)25-12-13-26(29-28-25)31(5-2)15-14-30(3)21-27(34)33-18-16-32(17-19-33)24-10-7-11-24/h6,8-9,12-13,20,24H,4-5,7,10-11,14-19,21H2,1-3H3
InChIKeyNKDAFCOQVVYSHF-UHFFFAOYSA-N
MW464.66 g/mol
LogP3.16
Rot. Bonds10

About 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone (PubChem CID 70827224) has the molecular formula C27H40N6O and a molecular weight of 464.66 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone
PubChem CID70827224
Molecular FormulaC27H40N6O
Molecular Weight464.66 g/mol
Exact Mass464.33
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone
SMILESCCc1cccc(-c2ccc(N(CC)CCN(C)CC(=O)N3CCN(C4CCC4)CC3)nn2)c1
InChIInChI=1S/C27H40N6O/c1-4-22-8-6-9-23(20-22)25-12-13-26(29-28-25)31(5-2)15-14-30(3)21-27(34)33-18-16-32(17-19-33)24-10-7-11-24/h6,8-9,12-13,20,24H,4-5,7,10-11,14-19,21H2,1-3H3
InChIKeyNKDAFCOQVVYSHF-UHFFFAOYSA-N
XLogP3.16
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.66
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone with MolForge

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Related Compounds

3-[5-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl-ethylamino]pyrazin-2-yl]benzonitrile
CID 70827214
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[4-(3,4-dimethylphenyl)-N-ethylanilino]ethyl-methylamino]ethanone
CID 70827203
N-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide
CID 70827219
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 57443060
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone
CID 57443041
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 57420733
N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylcyclobutanecarboxamide
CID 46001563
6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine
CID 58525230
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 57443053
2-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57443035
ethyl 4-[6-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyridazin-3-yl]benzoate
CID 57443180
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone
CID 58826279

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone (CID 70827224) is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone is CCc1cccc(-c2ccc(N(CC)CCN(C)CC(=O)N3CCN(C4CCC4)CC3)nn2)c1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone?
The InChIKey is NKDAFCOQVVYSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N6O/c1-4-22-8-6-9-23(20-22)25-12-13-26(29-28-25)31(5-2)15-14-30(3)21-27(34)33-18-16-32(17-19-33)24-10-7-11-24/h6,8-9,12-13,20,24H,4-5,7,10-11,14-19,21H2,1-3H3.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone has a molecular weight of 464.66 g/mol, XLogP of 3.16, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone is sourced from PubChem (CID 70827224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).