2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone

C23H25FN4O2 — CID 127250000

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCOC(c3cccc(Cc4ccc(F)cc4)n3)C2)n1
InChIInChI=1S/C23H25FN4O2/c1-16-12-17(2)28(26-16)15-23(29)27-10-11-30-22(14-27)21-5-3-4-20(25-21)13-18-6-8-19(24)9-7-18/h3-9,12,22H,10-11,13-15H2,1-2H3
InChIKeyYQHROFHJUQJSQA-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.22
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone (PubChem CID 127250000) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
PubChem CID127250000
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCOC(c3cccc(Cc4ccc(F)cc4)n3)C2)n1
InChIInChI=1S/C23H25FN4O2/c1-16-12-17(2)28(26-16)15-23(29)27-10-11-30-22(14-27)21-5-3-4-20(25-21)13-18-6-8-19(24)9-7-18/h3-9,12,22H,10-11,13-15H2,1-2H3
InChIKeyYQHROFHJUQJSQA-UHFFFAOYSA-N
XLogP3.22
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124951977
3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 132772651
[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone
CID 124970106
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124943524
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124940115
2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 125003543
4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one
CID 127250123
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 129454540
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95817811
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 110242920
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 125020266
1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 114398270

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone (CID 127250000) is 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCOC(c3cccc(Cc4ccc(F)cc4)n3)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone?
The InChIKey is YQHROFHJUQJSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16-12-17(2)28(26-16)15-23(29)27-10-11-30-22(14-27)21-5-3-4-20(25-21)13-18-6-8-19(24)9-7-18/h3-9,12,22H,10-11,13-15H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone has a molecular weight of 408.48 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 127250000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).