1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one

C18H20FN3O2 — CID 51644039

IUPAC1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCC[C@@H]2C)nn1-c1ccccc1F
InChIInChI=1S/C18H20FN3O2/c1-12-7-5-6-10-21(12)18(24)17-16(23)11-13(2)22(20-17)15-9-4-3-8-14(15)19/h3-4,8-9,11-12H,5-7,10H2,1-2H3/t12-/m0/s1
InChIKeyDZLZYKUNSFNYMM-LBPRGKRZSA-N
MW329.38 g/mol
LogP2.69
Rot. Bonds2

About 1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one

1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one (PubChem CID 51644039) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one
PubChem CID51644039
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCC[C@@H]2C)nn1-c1ccccc1F
InChIInChI=1S/C18H20FN3O2/c1-12-7-5-6-10-21(12)18(24)17-16(23)11-13(2)22(20-17)15-9-4-3-8-14(15)19/h3-4,8-9,11-12H,5-7,10H2,1-2H3/t12-/m0/s1
InChIKeyDZLZYKUNSFNYMM-LBPRGKRZSA-N
XLogP2.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 119468055
3-[4-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 119423489
3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 56812348
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one;hydrochloride
CID 119519008
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 35611354
1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one
CID 31059497
1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one
CID 43041687
1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one
CID 31097080
1-(2-fluorophenyl)-N,6-dimethyl-N-(4-methylcyclohexyl)-4-oxopyridazine-3-carboxamide
CID 47014577
5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 18568903
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-6-methyl-1-(2-nitrophenyl)pyridazin-4-one
CID 119434975
1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one
CID 18153287

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one (CID 51644039) is 1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one is Cc1cc(=O)c(C(=O)N2CCCC[C@@H]2C)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one?
The InChIKey is DZLZYKUNSFNYMM-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-7-5-6-10-21(12)18(24)17-16(23)11-13(2)22(20-17)15-9-4-3-8-14(15)19/h3-4,8-9,11-12H,5-7,10H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one?
1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one has a molecular weight of 329.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one is sourced from PubChem (CID 51644039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).