(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine

C22H25ClN4O — CID 125020601

IUPAC(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
SMILESCCn1cc(CN2CCO[C@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cn1
InChIInChI=1S/C22H25ClN4O/c1-2-27-15-18(13-24-27)14-26-9-10-28-22(16-26)21-8-4-7-20(25-21)12-17-5-3-6-19(23)11-17/h3-8,11,13,15,22H,2,9-10,12,14,16H2,1H3/t22-/m0/s1
InChIKeyYDYQTYISYLKCNU-QFIPXVFZSA-N
MW396.92 g/mol
LogP4.12
Rot. Bonds6

About (2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine

(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine (PubChem CID 125020601) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is (2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
PubChem CID125020601
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
SMILESCCn1cc(CN2CCO[C@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cn1
InChIInChI=1S/C22H25ClN4O/c1-2-27-15-18(13-24-27)14-26-9-10-28-22(16-26)21-8-4-7-20(25-21)12-17-5-3-6-19(23)11-17/h3-8,11,13,15,22H,2,9-10,12,14,16H2,1H3/t22-/m0/s1
InChIKeyYDYQTYISYLKCNU-QFIPXVFZSA-N
XLogP4.12
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine (CID 125020601) is (2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine is CCn1cc(CN2CCO[C@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cn1.
What is the InChIKey of (2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine?
The InChIKey is YDYQTYISYLKCNU-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-2-27-15-18(13-24-27)14-26-9-10-28-22(16-26)21-8-4-7-20(25-21)12-17-5-3-6-19(23)11-17/h3-8,11,13,15,22H,2,9-10,12,14,16H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine?
(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine has a molecular weight of 396.92 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 125020601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).