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

C23H28N4O — CID 124949780

IUPAC(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCc1cc(Cc2ccccc2C)cc([C@@H]2CN(Cc3cnn(C)c3)CCO2)n1
InChIInChI=1S/C23H28N4O/c1-17-6-4-5-7-21(17)11-19-10-18(2)25-22(12-19)23-16-27(8-9-28-23)15-20-13-24-26(3)14-20/h4-7,10,12-14,23H,8-9,11,15-16H2,1-3H3/t23-/m0/s1
InChIKeyCWQPPSQWMWVYQB-QHCPKHFHSA-N
MW376.50 g/mol
LogP3.60
Rot. Bonds5

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

(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine (PubChem CID 124949780) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is (2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
PubChem CID124949780
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCc1cc(Cc2ccccc2C)cc([C@@H]2CN(Cc3cnn(C)c3)CCO2)n1
InChIInChI=1S/C23H28N4O/c1-17-6-4-5-7-21(17)11-19-10-18(2)25-22(12-19)23-16-27(8-9-28-23)15-20-13-24-26(3)14-20/h4-7,10,12-14,23H,8-9,11,15-16H2,1-3H3/t23-/m0/s1
InChIKeyCWQPPSQWMWVYQB-QHCPKHFHSA-N
XLogP3.60
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124968837
N,N-diethyl-2-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]acetamide
CID 127251415
(2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 95847566
4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 110271855
(2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine
CID 124988726
(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]morpholine
CID 125016910
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124975171
N,N-dimethyl-5-[[2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyrimidin-2-amine
CID 127249995
N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 95847567
2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide
CID 127251417
(2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine
CID 124967443
6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124958285

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine (CID 124949780) is (2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine is Cc1cc(Cc2ccccc2C)cc([C@@H]2CN(Cc3cnn(C)c3)CCO2)n1.
What is the InChIKey of (2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The InChIKey is CWQPPSQWMWVYQB-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17-6-4-5-7-21(17)11-19-10-18(2)25-22(12-19)23-16-27(8-9-28-23)15-20-13-24-26(3)14-20/h4-7,10,12-14,23H,8-9,11,15-16H2,1-3H3/t23-/m0/s1.
What are the key properties of (2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine has a molecular weight of 376.50 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 124949780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).