5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one

C19H23FN4O2 — CID 97277231

IUPAC5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCN(C)c1cnn(CC(=O)N2CCCC[C@@H]2c2cccc(F)c2)c(=O)c1
InChIInChI=1S/C19H23FN4O2/c1-22(2)16-11-18(25)24(21-12-16)13-19(26)23-9-4-3-8-17(23)14-6-5-7-15(20)10-14/h5-7,10-12,17H,3-4,8-9,13H2,1-2H3/t17-/m1/s1
InChIKeyNCBDSCGKWZRUAO-QGZVFWFLSA-N
MW358.42 g/mol
LogP2.20
Rot. Bonds4

About 5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one

5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 97277231) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID97277231
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCN(C)c1cnn(CC(=O)N2CCCC[C@@H]2c2cccc(F)c2)c(=O)c1
InChIInChI=1S/C19H23FN4O2/c1-22(2)16-11-18(25)24(21-12-16)13-19(26)23-9-4-3-8-17(23)14-6-5-7-15(20)10-14/h5-7,10-12,17H,3-4,8-9,13H2,1-2H3/t17-/m1/s1
InChIKeyNCBDSCGKWZRUAO-QGZVFWFLSA-N
XLogP2.20
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 45245591
2-(5-amino-3-methylpyrazol-1-yl)-1-[2-(3-fluorophenyl)azepan-1-yl]ethanone
CID 131912952
5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 97286609
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 94630999
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 50746973
1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 94630998
4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 119288514
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
5-(dimethylamino)-2-[2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 97284720
[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone
CID 97120165

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 97277231) is 5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one is CN(C)c1cnn(CC(=O)N2CCCC[C@@H]2c2cccc(F)c2)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is NCBDSCGKWZRUAO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-22(2)16-11-18(25)24(21-12-16)13-19(26)23-9-4-3-8-17(23)14-6-5-7-15(20)10-14/h5-7,10-12,17H,3-4,8-9,13H2,1-2H3/t17-/m1/s1.
What are the key properties of 5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 358.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 97277231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).