2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one

C22H21FN4O3 — CID 125003543

IUPAC2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)n1
InChIInChI=1S/C22H21FN4O3/c1-15-8-9-21(28)27(25-15)14-22(29)26-10-11-30-20(13-26)19-7-3-6-18(24-19)16-4-2-5-17(23)12-16/h2-9,12,20H,10-11,13-14H2,1H3/t20-/m0/s1
InChIKeySSGNIRDIFKZVSU-FQEVSTJZSA-N
MW408.43 g/mol
LogP2.35
Rot. Bonds4

About 2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one

2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one (PubChem CID 125003543) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one
PubChem CID125003543
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)n1
InChIInChI=1S/C22H21FN4O3/c1-15-8-9-21(28)27(25-15)14-22(29)26-10-11-30-20(13-26)19-7-3-6-18(24-19)16-4-2-5-17(23)12-16/h2-9,12,20H,10-11,13-14H2,1H3/t20-/m0/s1
InChIKeySSGNIRDIFKZVSU-FQEVSTJZSA-N
XLogP2.35
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one with MolForge

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Related Compounds

3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124989667
6-methyl-2-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyridazin-3-one
CID 96511755
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250000
1-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 124992756
1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125007770
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 111101960
(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 124939802
6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one
CID 52898852
1-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one
CID 124950092
1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one
CID 124950091
4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one
CID 127250547
6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 110103740

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one (CID 125003543) is 2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC(=O)N2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)n1.
What is the InChIKey of 2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The InChIKey is SSGNIRDIFKZVSU-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-15-8-9-21(28)27(25-15)14-22(29)26-10-11-30-20(13-26)19-7-3-6-18(24-19)16-4-2-5-17(23)12-16/h2-9,12,20H,10-11,13-14H2,1H3/t20-/m0/s1.
What are the key properties of 2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one has a molecular weight of 408.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 125003543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).