3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one

C25H30N4O3 — CID 125000008

IUPAC3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCO[C@@H](c2cccc(Cc3cccc(OC)c3)n2)C1
InChIInChI=1S/C25H30N4O3/c1-3-24-26-11-13-28(24)12-10-25(30)29-14-15-32-23(18-29)22-9-5-7-20(27-22)16-19-6-4-8-21(17-19)31-2/h4-9,11,13,17,23H,3,10,12,14-16,18H2,1-2H3/t23-/m1/s1
InChIKeyRSUDBJZLZWLZDI-HSZRJFAPSA-N
MW434.54 g/mol
LogP3.43
Rot. Bonds8

About 3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one (PubChem CID 125000008) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
PubChem CID125000008
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCO[C@@H](c2cccc(Cc3cccc(OC)c3)n2)C1
InChIInChI=1S/C25H30N4O3/c1-3-24-26-11-13-28(24)12-10-25(30)29-14-15-32-23(18-29)22-9-5-7-20(27-22)16-19-6-4-8-21(17-19)31-2/h4-9,11,13,17,23H,3,10,12,14-16,18H2,1-2H3/t23-/m1/s1
InChIKeyRSUDBJZLZWLZDI-HSZRJFAPSA-N
XLogP3.43
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
CID 110115823
[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 124963764
1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 127250033
3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 132772651
2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone
CID 125023520
1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 136547163
1-[(2R)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(3-methoxyphenyl)ethanone
CID 125010044
1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 125011310
3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 110364528
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 110112348
[2-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 127251425
1-[(2R)-2-isoquinolin-3-ylmorpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 92576978

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one (CID 125000008) is 3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one is CCc1nccn1CCC(=O)N1CCO[C@@H](c2cccc(Cc3cccc(OC)c3)n2)C1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one?
The InChIKey is RSUDBJZLZWLZDI-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-3-24-26-11-13-28(24)12-10-25(30)29-14-15-32-23(18-29)22-9-5-7-20(27-22)16-19-6-4-8-21(17-19)31-2/h4-9,11,13,17,23H,3,10,12,14-16,18H2,1-2H3/t23-/m1/s1.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one?
3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one has a molecular weight of 434.54 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 125000008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).