1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one

C22H24N4O3 — CID 148648583

IUPAC1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one
SMILESO=C(CCc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1)N1CCOCC1
InChIInChI=1S/C22H24N4O3/c27-22(26-10-12-28-13-11-26)7-4-17-2-1-3-18(14-17)16-29-19-5-6-20(23-15-19)21-8-9-24-25-21/h1-3,5-6,8-9,14-15H,4,7,10-13,16H2,(H,24,25)
InChIKeyNLLSAOWEJXCBNY-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.84
Rot. Bonds7

About 1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one

1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one (PubChem CID 148648583) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one
PubChem CID148648583
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one
SMILESO=C(CCc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1)N1CCOCC1
InChIInChI=1S/C22H24N4O3/c27-22(26-10-12-28-13-11-26)7-4-17-2-1-3-18(14-17)16-29-19-5-6-20(23-15-19)21-8-9-24-25-21/h1-3,5-6,8-9,14-15H,4,7,10-13,16H2,(H,24,25)
InChIKeyNLLSAOWEJXCBNY-UHFFFAOYSA-N
XLogP2.84
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one (CID 148648583) is 1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one is O=C(CCc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one?
The InChIKey is NLLSAOWEJXCBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-22(26-10-12-28-13-11-26)7-4-17-2-1-3-18(14-17)16-29-19-5-6-20(23-15-19)21-8-9-24-25-21/h1-3,5-6,8-9,14-15H,4,7,10-13,16H2,(H,24,25).
What are the key properties of 1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one?
1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one has a molecular weight of 392.46 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one is sourced from PubChem (CID 148648583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).