2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine

C23H27ClN4O — CID 127250042

IUPAC2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine
SMILESCCn1cc(CN2CCOC(c3cccc(Cc4cccc(Cl)c4)n3)C2)c(C)n1
InChIInChI=1S/C23H27ClN4O/c1-3-28-15-19(17(2)26-28)14-27-10-11-29-23(16-27)22-9-5-8-21(25-22)13-18-6-4-7-20(24)12-18/h4-9,12,15,23H,3,10-11,13-14,16H2,1-2H3
InChIKeyPTXRQKIGLLRVQG-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.42
Rot. Bonds6

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

2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine (PubChem CID 127250042) has the molecular formula C23H27ClN4O and a molecular weight of 410.95 g/mol. Its IUPAC name is 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine
PubChem CID127250042
Molecular FormulaC23H27ClN4O
Molecular Weight410.95 g/mol
Exact Mass410.19
IUPAC Name2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine
SMILESCCn1cc(CN2CCOC(c3cccc(Cc4cccc(Cl)c4)n3)C2)c(C)n1
InChIInChI=1S/C23H27ClN4O/c1-3-28-15-19(17(2)26-28)14-27-10-11-29-23(16-27)22-9-5-8-21(25-22)13-18-6-4-7-20(24)12-18/h4-9,12,15,23H,3,10-11,13-14,16H2,1-2H3
InChIKeyPTXRQKIGLLRVQG-UHFFFAOYSA-N
XLogP4.42
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-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-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
CID 125020601
6-[(2S)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methylpyridin-2-amine
CID 124944325
(2R)-2-(6-benzyl-2-pyridinyl)-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
CID 124974858
3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124947759
(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine
CID 124945699
[(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124976913
(2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124968837
[(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 124967747
2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 127250781
(2S)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 125016389
(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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine?
The IUPAC name of 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine (CID 127250042) is 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine?
The canonical SMILES for 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine is CCn1cc(CN2CCOC(c3cccc(Cc4cccc(Cl)c4)n3)C2)c(C)n1.
What is the InChIKey of 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine?
The InChIKey is PTXRQKIGLLRVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O/c1-3-28-15-19(17(2)26-28)14-27-10-11-29-23(16-27)22-9-5-8-21(25-22)13-18-6-4-7-20(24)12-18/h4-9,12,15,23H,3,10-11,13-14,16H2,1-2H3.
What are the key properties of 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine?
2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine has a molecular weight of 410.95 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 127250042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).