4-chloro-5-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]amino]-2-methylpyridazin-3-one

C17H20ClFN4O — CID 121476442

IUPAC4-chloro-5-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC2CCCN(Cc3ccc(F)cc3)C2)c(Cl)c1=O
InChIInChI=1S/C17H20ClFN4O/c1-22-17(24)16(18)15(9-20-22)21-14-3-2-8-23(11-14)10-12-4-6-13(19)7-5-12/h4-7,9,14,21H,2-3,8,10-11H2,1H3
InChIKeyHAJDMVOUJGHBCO-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.65
Rot. Bonds4

About 4-chloro-5-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]amino]-2-methylpyridazin-3-one

4-chloro-5-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]amino]-2-methylpyridazin-3-one (PubChem CID 121476442) has the molecular formula C17H20ClFN4O and a molecular weight of 350.83 g/mol. Its IUPAC name is 4-chloro-5-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]amino]-2-methylpyridazin-3-one
PubChem CID121476442
Molecular FormulaC17H20ClFN4O
Molecular Weight350.83 g/mol
Exact Mass350.13
IUPAC Name4-chloro-5-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC2CCCN(Cc3ccc(F)cc3)C2)c(Cl)c1=O
InChIInChI=1S/C17H20ClFN4O/c1-22-17(24)16(18)15(9-20-22)21-14-3-2-8-23(11-14)10-12-4-6-13(19)7-5-12/h4-7,9,14,21H,2-3,8,10-11H2,1H3
InChIKeyHAJDMVOUJGHBCO-UHFFFAOYSA-N
XLogP2.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone
CID 734445
4-chloro-2-methyl-5-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyridazin-3-one
CID 137646779
5-chloro-4-[4-[(1S)-1-(2-methylphenyl)ethyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138472351
4-Chloro-5-[4-[(2-methylphenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138483781
4-Chloro-2-methyl-5-{[(4-methylphenyl)methyl]amino}-2,3-dihydropyridazin-3-one
CID 33287080
5-(4-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone
CID 993406
US10239861, Example 42
CID 121476433
N-[(3,5-Difluorophenyl)methyl]-2-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]acetamide
CID 91907033
5-(Benzylamino)-4-chloro-2-methyl-2,3-dihydropyridazin-3-one
CID 13169715
4-Chloro-2-methyl-5-{[(2-methylphenyl)methyl]amino}-2,3-dihydropyridazin-3-one
CID 33323919
4-Chloro-2-methyl-5-[(3-methylphenyl)methylamino]pyridazin-3-one
CID 37929328
4-Chloro-5-{[(4-fluorophenyl)methyl]amino}-2-methyl-2,3-dihydropyridazin-3-one
CID 33287028

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]amino]-2-methylpyridazin-3-one (CID 121476442) is 4-chloro-5-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]amino]-2-methylpyridazin-3-one is Cn1ncc(NC2CCCN(Cc3ccc(F)cc3)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]amino]-2-methylpyridazin-3-one?
The InChIKey is HAJDMVOUJGHBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4O/c1-22-17(24)16(18)15(9-20-22)21-14-3-2-8-23(11-14)10-12-4-6-13(19)7-5-12/h4-7,9,14,21H,2-3,8,10-11H2,1H3.
What are the key properties of 4-chloro-5-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]amino]-2-methylpyridazin-3-one?
4-chloro-5-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]amino]-2-methylpyridazin-3-one has a molecular weight of 350.83 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 121476442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).