1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

C25H30N4O3 — CID 127251461

IUPAC1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCOc1ccc(Cc2cc(C)nc(C3CN(C(=O)CCn4nccc4C)CCO3)c2)cc1
InChIInChI=1S/C25H30N4O3/c1-18-14-21(15-20-4-6-22(31-3)7-5-20)16-23(27-18)24-17-28(12-13-32-24)25(30)9-11-29-19(2)8-10-26-29/h4-8,10,14,16,24H,9,11-13,15,17H2,1-3H3
InChIKeySULYFEFSPBBADK-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.48
Rot. Bonds7

About 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 127251461) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
PubChem CID127251461
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCOc1ccc(Cc2cc(C)nc(C3CN(C(=O)CCn4nccc4C)CCO3)c2)cc1
InChIInChI=1S/C25H30N4O3/c1-18-14-21(15-20-4-6-22(31-3)7-5-20)16-23(27-18)24-17-28(12-13-32-24)25(30)9-11-29-19(2)8-10-26-29/h4-8,10,14,16,24H,9,11-13,15,17H2,1-3H3
InChIKeySULYFEFSPBBADK-UHFFFAOYSA-N
XLogP3.48
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 127251454
1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 125011310
1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 127251522
3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one
CID 125026147
[2-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 127251425
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 124955633
1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125007770
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 129454540
1-[(2R)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(3-methoxyphenyl)ethanone
CID 125010044
3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 45239749
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 125020266
1-[2-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]azepan-2-one
CID 127251546

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 127251461) is 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is COc1ccc(Cc2cc(C)nc(C3CN(C(=O)CCn4nccc4C)CCO3)c2)cc1.
What is the InChIKey of 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The InChIKey is SULYFEFSPBBADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18-14-21(15-20-4-6-22(31-3)7-5-20)16-23(27-18)24-17-28(12-13-32-24)25(30)9-11-29-19(2)8-10-26-29/h4-8,10,14,16,24H,9,11-13,15,17H2,1-3H3.
What are the key properties of 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 434.54 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 127251461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).