6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride

C28H34ClN5O2 — CID 44565065

IUPAC6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride
SMILESCN(CCC(=O)N1CCN(c2ccc(=O)n(C)n2)CC1)CCC1c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C28H33N5O2.ClH/c1-30(15-13-25-23-9-5-3-7-21(23)22-8-4-6-10-24(22)25)16-14-28(35)33-19-17-32(18-20-33)26-11-12-27(34)31(2)29-26;/h3-12,25H,13-20H2,1-2H3;1H
InChIKeyYPHGJEOWOHFIGV-UHFFFAOYSA-N
MW508.07 g/mol
LogP3.38
Rot. Bonds7

About 6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride

6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride (PubChem CID 44565065) has the molecular formula C28H34ClN5O2 and a molecular weight of 508.07 g/mol. Its IUPAC name is 6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride
PubChem CID44565065
Molecular FormulaC28H34ClN5O2
Molecular Weight508.07 g/mol
Exact Mass507.24
IUPAC Name6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride
SMILESCN(CCC(=O)N1CCN(c2ccc(=O)n(C)n2)CC1)CCC1c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C28H33N5O2.ClH/c1-30(15-13-25-23-9-5-3-7-21(23)22-8-4-6-10-24(22)25)16-14-28(35)33-19-17-32(18-20-33)26-11-12-27(34)31(2)29-26;/h3-12,25H,13-20H2,1-2H3;1H
InChIKeyYPHGJEOWOHFIGV-UHFFFAOYSA-N
XLogP3.38
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.07
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride with MolForge

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Related Compounds

3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 51934402
2-methyl-6-pyrrolidin-1-ylpyridazin-3-one
CID 130616620
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 119068341
3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121060046
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide
CID 113138133
3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017255
2-[4-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 122343491
N-(2-bromophenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
CID 71795332
(3R)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxylic acid
CID 92669109
2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one
CID 12901796
3-cyclopentyl-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122334043
5-[(1S)-1-[[methyl-[3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]amino]methyl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)diazinan-3-one
CID 154826100

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride?
The IUPAC name of 6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride (CID 44565065) is 6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride.
What is the SMILES notation for 6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride?
The canonical SMILES for 6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride is CN(CCC(=O)N1CCN(c2ccc(=O)n(C)n2)CC1)CCC1c2ccccc2-c2ccccc21.Cl.
What is the InChIKey of 6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride?
The InChIKey is YPHGJEOWOHFIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2.ClH/c1-30(15-13-25-23-9-5-3-7-21(23)22-8-4-6-10-24(22)25)16-14-28(35)33-19-17-32(18-20-33)26-11-12-27(34)31(2)29-26;/h3-12,25H,13-20H2,1-2H3;1H.
What are the key properties of 6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride?
6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride has a molecular weight of 508.07 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride is sourced from PubChem (CID 44565065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).