5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]pentyl]morpholine-2-carboxamide

C41H51ClN6O5 — CID 170357925

IUPAC5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]pentyl]morpholine-2-carboxamide
SMILESCc1cc(C2CCC(N3CC(C(=O)NCCCCCc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5)OCC3Cc3ccc(Cl)cc3)CC2)nn1C
InChIInChI=1S/C41H51ClN6O5/c1-26-21-34(45-46(26)2)28-12-16-32(17-13-28)47-24-36(53-25-33(47)22-27-10-14-31(42)15-11-27)40(51)43-20-5-3-4-7-29-8-6-9-30-23-48(41(52)38(29)30)35-18-19-37(49)44-39(35)50/h6,8-11,14-15,21,28,32-33,35-36H,3-5,7,12-13,16-20,22-25H2,1-2H3,(H,43,51)(H,44,49,50)
InChIKeyOERMOJFZHZMFAC-UHFFFAOYSA-N
MW743.35 g/mol
LogP5.01
Rot. Bonds12

About 5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]pentyl]morpholine-2-carboxamide

5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]pentyl]morpholine-2-carboxamide (PubChem CID 170357925) has the molecular formula C41H51ClN6O5 and a molecular weight of 743.35 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]pentyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]pentyl]morpholine-2-carboxamide
PubChem CID170357925
Molecular FormulaC41H51ClN6O5
Molecular Weight743.35 g/mol
Exact Mass742.36
IUPAC Name5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]pentyl]morpholine-2-carboxamide
SMILESCc1cc(C2CCC(N3CC(C(=O)NCCCCCc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5)OCC3Cc3ccc(Cl)cc3)CC2)nn1C
InChIInChI=1S/C41H51ClN6O5/c1-26-21-34(45-46(26)2)28-12-16-32(17-13-28)47-24-36(53-25-33(47)22-27-10-14-31(42)15-11-27)40(51)43-20-5-3-4-7-29-8-6-9-30-23-48(41(52)38(29)30)35-18-19-37(49)44-39(35)50/h6,8-11,14-15,21,28,32-33,35-36H,3-5,7,12-13,16-20,22-25H2,1-2H3,(H,43,51)(H,44,49,50)
InChIKeyOERMOJFZHZMFAC-UHFFFAOYSA-N
XLogP5.01
TPSA125.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.35
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]pentyl]morpholine-2-carboxamide 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

(2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-ethylmorpholine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 170308675
methyl 5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate
CID 170359132
(2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylic acid
CID 169320981
(2R,5S)-N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxamide
CID 169320961
3-[4-[[[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740558
5-[(4-chlorophenyl)methyl]-N-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine-2-carboxamide
CID 170354834
3-[4-[[4-(8-aminooctyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167731550
3-[5-[6-[4-(4-chlorophenyl)piperidin-1-yl]-6-oxohexyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170548206
5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide
CID 168880095
3-[4-[[(8-amino-8-methylnonyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167724734
1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 166425799
3-[4-[[[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167724076

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]pentyl]morpholine-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]pentyl]morpholine-2-carboxamide (CID 170357925) is 5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]pentyl]morpholine-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]pentyl]morpholine-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]pentyl]morpholine-2-carboxamide is Cc1cc(C2CCC(N3CC(C(=O)NCCCCCc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5)OCC3Cc3ccc(Cl)cc3)CC2)nn1C.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]pentyl]morpholine-2-carboxamide?
The InChIKey is OERMOJFZHZMFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H51ClN6O5/c1-26-21-34(45-46(26)2)28-12-16-32(17-13-28)47-24-36(53-25-33(47)22-27-10-14-31(42)15-11-27)40(51)43-20-5-3-4-7-29-8-6-9-30-23-48(41(52)38(29)30)35-18-19-37(49)44-39(35)50/h6,8-11,14-15,21,28,32-33,35-36H,3-5,7,12-13,16-20,22-25H2,1-2H3,(H,43,51)(H,44,49,50).
What are the key properties of 5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]pentyl]morpholine-2-carboxamide?
5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]pentyl]morpholine-2-carboxamide has a molecular weight of 743.35 g/mol, XLogP of 5.01, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]pentyl]morpholine-2-carboxamide is sourced from PubChem (CID 170357925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).