2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one

C17H19FN4O2 — CID 124574819

IUPAC2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one
SMILESCN[C@H]1CCCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C17H19FN4O2/c1-19-13-3-2-10-21(11-13)17(24)15-8-9-16(23)22(20-15)14-6-4-12(18)5-7-14/h4-9,13,19H,2-3,10-11H2,1H3/t13-/m0/s1
InChIKeyDTNPKDVXYAIFCB-ZDUSSCGKSA-N
MW330.36 g/mol
LogP1.20
Rot. Bonds3

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

2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one (PubChem CID 124574819) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one
PubChem CID124574819
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one
SMILESCN[C@H]1CCCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C17H19FN4O2/c1-19-13-3-2-10-21(11-13)17(24)15-8-9-16(23)22(20-15)14-6-4-12(18)5-7-14/h4-9,13,19H,2-3,10-11H2,1H3/t13-/m0/s1
InChIKeyDTNPKDVXYAIFCB-ZDUSSCGKSA-N
XLogP1.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one
CID 119593433
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491020
6-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one
CID 124589320
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 75495801
[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119493699
(3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695620
1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide
CID 55634816
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one
CID 56819222
[1-(2-fluorophenyl)pyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487860
2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 110888367

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one (CID 124574819) is 2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one is CN[C@H]1CCCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one?
The InChIKey is DTNPKDVXYAIFCB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-19-13-3-2-10-21(11-13)17(24)15-8-9-16(23)22(20-15)14-6-4-12(18)5-7-14/h4-9,13,19H,2-3,10-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one?
2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one has a molecular weight of 330.36 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 124574819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).