(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine

C22H26N4O2 — CID 124977152

IUPAC(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
SMILESCCn1cc(CN2CCO[C@H](c3cccc(-c4ccc(OC)cc4)n3)C2)cn1
InChIInChI=1S/C22H26N4O2/c1-3-26-15-17(13-23-26)14-25-11-12-28-22(16-25)21-6-4-5-20(24-21)18-7-9-19(27-2)10-8-18/h4-10,13,15,22H,3,11-12,14,16H2,1-2H3/t22-/m0/s1
InChIKeyLKKHUDSIZBDETM-QFIPXVFZSA-N
MW378.48 g/mol
LogP3.55
Rot. Bonds6

About (2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine

(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine (PubChem CID 124977152) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
PubChem CID124977152
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
SMILESCCn1cc(CN2CCO[C@H](c3cccc(-c4ccc(OC)cc4)n3)C2)cn1
InChIInChI=1S/C22H26N4O2/c1-3-26-15-17(13-23-26)14-25-11-12-28-22(16-25)21-6-4-5-20(24-21)18-7-9-19(27-2)10-8-18/h4-10,13,15,22H,3,11-12,14,16H2,1-2H3/t22-/m0/s1
InChIKeyLKKHUDSIZBDETM-QFIPXVFZSA-N
XLogP3.55
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine with MolForge

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Related Compounds

(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124975171
(2R)-2-(6-benzyl-2-pyridinyl)-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
CID 124974858
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-(quinolin-6-ylmethyl)morpholine
CID 125021519
4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
CID 127250503
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
CID 125020601
4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine
CID 127250979
(2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine
CID 124943789
2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 125026040
2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine
CID 127251047
(2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine
CID 124941629
2-(5-methyl-2-pyridinyl)-4-[(1-propylpyrazol-4-yl)methyl]morpholine
CID 127245697

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine?
The IUPAC name of (2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine (CID 124977152) is (2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine.
What is the SMILES notation for (2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine?
The canonical SMILES for (2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine is CCn1cc(CN2CCO[C@H](c3cccc(-c4ccc(OC)cc4)n3)C2)cn1.
What is the InChIKey of (2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine?
The InChIKey is LKKHUDSIZBDETM-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-26-15-17(13-23-26)14-25-11-12-28-22(16-25)21-6-4-5-20(24-21)18-7-9-19(27-2)10-8-18/h4-10,13,15,22H,3,11-12,14,16H2,1-2H3/t22-/m0/s1.
What are the key properties of (2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine?
(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine has a molecular weight of 378.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 124977152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).