1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone

C26H28FN3O3 — CID 127250400

IUPAC1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
SMILESCOc1ccc(CN(C)CC(=O)N2CCOC(c3ccc(-c4ccccc4F)cn3)C2)cc1
InChIInChI=1S/C26H28FN3O3/c1-29(16-19-7-10-21(32-2)11-8-19)18-26(31)30-13-14-33-25(17-30)24-12-9-20(15-28-24)22-5-3-4-6-23(22)27/h3-12,15,25H,13-14,16-18H2,1-2H3
InChIKeyABYKKWGIQAKJOC-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.93
Rot. Bonds7

About 1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone

1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone (PubChem CID 127250400) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is 1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
PubChem CID127250400
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC Name1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
SMILESCOc1ccc(CN(C)CC(=O)N2CCOC(c3ccc(-c4ccccc4F)cn3)C2)cc1
InChIInChI=1S/C26H28FN3O3/c1-29(16-19-7-10-21(32-2)11-8-19)18-26(31)30-13-14-33-25(17-30)24-12-9-20(15-28-24)22-5-3-4-6-23(22)27/h3-12,15,25H,13-14,16-18H2,1-2H3
InChIKeyABYKKWGIQAKJOC-UHFFFAOYSA-N
XLogP3.93
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone with MolForge

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Related Compounds

1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 92615506
2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone
CID 125023520
2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 71872781
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone
CID 124953915
[3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone
CID 127250394
2-(2-fluorophenoxy)-1-[(2R)-2-(5-methyl-2-pyridinyl)morpholin-4-yl]ethanone
CID 124977367
2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250154
1-(2,6-dimethylmorpholin-4-yl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 86911554
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 110609378
2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone?
The IUPAC name of 1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone (CID 127250400) is 1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone is COc1ccc(CN(C)CC(=O)N2CCOC(c3ccc(-c4ccccc4F)cn3)C2)cc1.
What is the InChIKey of 1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone?
The InChIKey is ABYKKWGIQAKJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-29(16-19-7-10-21(32-2)11-8-19)18-26(31)30-13-14-33-25(17-30)24-12-9-20(15-28-24)22-5-3-4-6-23(22)27/h3-12,15,25H,13-14,16-18H2,1-2H3.
What are the key properties of 1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone?
1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone has a molecular weight of 449.53 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone is sourced from PubChem (CID 127250400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).