N-[(2-fluorophenyl)methyl]-3-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide;hydrochloride

C18H23ClFN5O2 — CID 154892763

IUPACN-[(2-fluorophenyl)methyl]-3-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide;hydrochloride
SMILESCl.O=C(CCn1ncc(N2CCNCC2)cc1=O)NCc1ccccc1F
InChIInChI=1S/C18H22FN5O2.ClH/c19-16-4-2-1-3-14(16)12-21-17(25)5-8-24-18(26)11-15(13-22-24)23-9-6-20-7-10-23;/h1-4,11,13,20H,5-10,12H2,(H,21,25);1H
InChIKeyUOXQWIJQSCYTSR-UHFFFAOYSA-N
MW395.87 g/mol
LogP0.92
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide;hydrochloride

N-[(2-fluorophenyl)methyl]-3-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide;hydrochloride (PubChem CID 154892763) has the molecular formula C18H23ClFN5O2 and a molecular weight of 395.87 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide;hydrochloride
PubChem CID154892763
Molecular FormulaC18H23ClFN5O2
Molecular Weight395.87 g/mol
Exact Mass395.15
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide;hydrochloride
SMILESCl.O=C(CCn1ncc(N2CCNCC2)cc1=O)NCc1ccccc1F
InChIInChI=1S/C18H22FN5O2.ClH/c19-16-4-2-1-3-14(16)12-21-17(25)5-8-24-18(26)11-15(13-22-24)23-9-6-20-7-10-23;/h1-4,11,13,20H,5-10,12H2,(H,21,25);1H
InChIKeyUOXQWIJQSCYTSR-UHFFFAOYSA-N
XLogP0.92
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
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CID 91841494
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide
CID 27845838
N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
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N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
2-(2-ethylsulfanylethyl)-5-piperazin-1-ylpyridazin-3-one;2,2,2-trifluoroacetic acid
CID 154888488
N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119679682
2-(1,4-diazepan-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide
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2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide;hydrochloride (CID 154892763) is N-[(2-fluorophenyl)methyl]-3-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide;hydrochloride is Cl.O=C(CCn1ncc(N2CCNCC2)cc1=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide;hydrochloride?
The InChIKey is UOXQWIJQSCYTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2.ClH/c19-16-4-2-1-3-14(16)12-21-17(25)5-8-24-18(26)11-15(13-22-24)23-9-6-20-7-10-23;/h1-4,11,13,20H,5-10,12H2,(H,21,25);1H.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide;hydrochloride?
N-[(2-fluorophenyl)methyl]-3-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide;hydrochloride has a molecular weight of 395.87 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 154892763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).