5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one

C17H20ClN5O — CID 138472251

IUPAC5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(Cc3cccnc3C3CC3)CC2)c1Cl
InChIInChI=1S/C17H20ClN5O/c18-15-14(10-20-21-17(15)24)23-8-6-22(7-9-23)11-13-2-1-5-19-16(13)12-3-4-12/h1-2,5,10,12H,3-4,6-9,11H2,(H,21,24)
InChIKeyGMCFWLUXZIQFFV-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.02
Rot. Bonds4

About 5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138472251) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138472251
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(Cc3cccnc3C3CC3)CC2)c1Cl
InChIInChI=1S/C17H20ClN5O/c18-15-14(10-20-21-17(15)24)23-8-6-22(7-9-23)11-13-2-1-5-19-16(13)12-3-4-12/h1-2,5,10,12H,3-4,6-9,11H2,(H,21,24)
InChIKeyGMCFWLUXZIQFFV-UHFFFAOYSA-N
XLogP2.02
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[4-[[2-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138472244
5-chloro-4-[4-[[2-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138472119
5-chloro-4-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 51103947
5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one
CID 47151514
potassium;carbanide;5-chloro-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one;5-chloro-4-piperidin-1-yl-1H-pyridazin-6-one;5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 164975779
5-chloro-4-[4-[[2-[(1S)-1-[(1R,2R)-2-[(1R)-1-[3-[[4-(5-chloro-6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,2,2-trifluoroethyl]-2-pentylcyclobutyl]-2,2,2-trifluoroethyl]-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 174076643
5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one
CID 142546607
5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 43037913
5-chloro-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 37101752
5-chloro-4-[4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 142546828
5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]-3-hydroxypiperazin-1-yl]-1H-pyridazin-6-one
CID 138483745
5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 175651574

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 138472251) is 5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCN(Cc3cccnc3C3CC3)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is GMCFWLUXZIQFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c18-15-14(10-20-21-17(15)24)23-8-6-22(7-9-23)11-13-2-1-5-19-16(13)12-3-4-12/h1-2,5,10,12H,3-4,6-9,11H2,(H,21,24).
What are the key properties of 5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 345.83 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138472251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).