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

C21H24N4O2 — CID 124975171

IUPAC(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCOc1ccc(-c2cccc([C@@H]3CN(Cc4cnn(C)c4)CCO3)n2)cc1
InChIInChI=1S/C21H24N4O2/c1-24-13-16(12-22-24)14-25-10-11-27-21(15-25)20-5-3-4-19(23-20)17-6-8-18(26-2)9-7-17/h3-9,12-13,21H,10-11,14-15H2,1-2H3/t21-/m0/s1
InChIKeyKVYLCBIIHFNGIL-NRFANRHFSA-N
MW364.45 g/mol
LogP3.06
Rot. Bonds5

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

(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine (PubChem CID 124975171) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
PubChem CID124975171
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCOc1ccc(-c2cccc([C@@H]3CN(Cc4cnn(C)c4)CCO3)n2)cc1
InChIInChI=1S/C21H24N4O2/c1-24-13-16(12-22-24)14-25-10-11-27-21(15-25)20-5-3-4-19(23-20)17-6-8-18(26-2)9-7-17/h3-9,12-13,21H,10-11,14-15H2,1-2H3/t21-/m0/s1
InChIKeyKVYLCBIIHFNGIL-NRFANRHFSA-N
XLogP3.06
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
CID 124977152
4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
CID 127250503
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-(quinolin-6-ylmethyl)morpholine
CID 125021519
(2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124968837
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
(2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 125007383
2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 127250701
6-[4-[(4-methoxyphenyl)methyl]morpholin-2-yl]-N-methylpyridin-3-amine
CID 110272026
(2R)-4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine
CID 124985772

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine (CID 124975171) is (2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine is COc1ccc(-c2cccc([C@@H]3CN(Cc4cnn(C)c4)CCO3)n2)cc1.
What is the InChIKey of (2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The InChIKey is KVYLCBIIHFNGIL-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24-13-16(12-22-24)14-25-10-11-27-21(15-25)20-5-3-4-19(23-20)17-6-8-18(26-2)9-7-17/h3-9,12-13,21H,10-11,14-15H2,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine has a molecular weight of 364.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 124975171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).