2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one

C24H28N4O4 — CID 127250701

IUPAC2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCOc1ccc(OC(C)(C)C(=O)N2CCOC(c3cccc(-c4cnn(C)c4)n3)C2)cc1
InChIInChI=1S/C24H28N4O4/c1-24(2,32-19-10-8-18(30-4)9-11-19)23(29)28-12-13-31-22(16-28)21-7-5-6-20(26-21)17-14-25-27(3)15-17/h5-11,14-15,22H,12-13,16H2,1-4H3
InChIKeyGDBPZPOGECINOY-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.25
Rot. Bonds6

About 2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one

2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one (PubChem CID 127250701) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one
PubChem CID127250701
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCOc1ccc(OC(C)(C)C(=O)N2CCOC(c3cccc(-c4cnn(C)c4)n3)C2)cc1
InChIInChI=1S/C24H28N4O4/c1-24(2,32-19-10-8-18(30-4)9-11-19)23(29)28-12-13-31-22(16-28)21-7-5-6-20(26-21)17-14-25-27(3)15-17/h5-11,14-15,22H,12-13,16H2,1-4H3
InChIKeyGDBPZPOGECINOY-UHFFFAOYSA-N
XLogP3.25
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124975171
1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 125011310
[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone
CID 125005581
2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 110093026
1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one
CID 124950091
1-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one
CID 124950092
[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110097811
3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124950686
3-[6-[(2S)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124950685
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 110112348
1-[2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 127250561
2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 125026040

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one (CID 127250701) is 2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one is COc1ccc(OC(C)(C)C(=O)N2CCOC(c3cccc(-c4cnn(C)c4)n3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The InChIKey is GDBPZPOGECINOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-24(2,32-19-10-8-18(30-4)9-11-19)23(29)28-12-13-31-22(16-28)21-7-5-6-20(26-21)17-14-25-27(3)15-17/h5-11,14-15,22H,12-13,16H2,1-4H3.
What are the key properties of 2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one?
2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one has a molecular weight of 436.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 127250701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).