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

C22H26N4O — CID 124968837

IUPAC(2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCc1ccccc1Cc1cccc([C@@H]2CN(Cc3cnn(C)c3)CCO2)n1
InChIInChI=1S/C22H26N4O/c1-17-6-3-4-7-19(17)12-20-8-5-9-21(24-20)22-16-26(10-11-27-22)15-18-13-23-25(2)14-18/h3-9,13-14,22H,10-12,15-16H2,1-2H3/t22-/m0/s1
InChIKeyJEAVQUSCJILFNY-QFIPXVFZSA-N
MW362.48 g/mol
LogP3.29
Rot. Bonds5

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

(2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine (PubChem CID 124968837) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
PubChem CID124968837
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCc1ccccc1Cc1cccc([C@@H]2CN(Cc3cnn(C)c3)CCO2)n1
InChIInChI=1S/C22H26N4O/c1-17-6-3-4-7-19(17)12-20-8-5-9-21(24-20)22-16-26(10-11-27-22)15-18-13-23-25(2)14-18/h3-9,13-14,22H,10-12,15-16H2,1-2H3/t22-/m0/s1
InChIKeyJEAVQUSCJILFNY-QFIPXVFZSA-N
XLogP3.29
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124949780
(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]morpholine
CID 125016910
N,N-dimethyl-5-[[2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyrimidin-2-amine
CID 127249995
(2R)-2-(6-benzyl-2-pyridinyl)-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
CID 124974858
(2R)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-pyrimidin-2-ylmorpholine
CID 124963422
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124975171
(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
CID 125020601
(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 124949958
(2R)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
CID 125008958
6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124958285
(2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine
CID 124941629
(2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 95847566

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine (CID 124968837) is (2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine is Cc1ccccc1Cc1cccc([C@@H]2CN(Cc3cnn(C)c3)CCO2)n1.
What is the InChIKey of (2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The InChIKey is JEAVQUSCJILFNY-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17-6-3-4-7-19(17)12-20-8-5-9-21(24-20)22-16-26(10-11-27-22)15-18-13-23-25(2)14-18/h3-9,13-14,22H,10-12,15-16H2,1-2H3/t22-/m0/s1.
What are the key properties of (2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
(2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine has a molecular weight of 362.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 124968837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).