(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide

C24H33F2N5O3 — CID 54587781

IUPAC(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide
SMILESCCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CN2CCOCC2)cn1
InChIInChI=1S/C24H33F2N5O3/c1-4-5-20(28-22(32)12-17-10-18(25)13-19(26)11-17)23(33)29-21-14-31(16-27-21)24(2,3)15-30-6-8-34-9-7-30/h10-11,13-14,16,20H,4-9,12,15H2,1-3H3,(H,28,32)(H,29,33)/t20-/m0/s1
InChIKeyOQUHWHUICWTGQJ-FQEVSTJZSA-N
MW477.56 g/mol
LogP2.69
Rot. Bonds10

About (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide (PubChem CID 54587781) has the molecular formula C24H33F2N5O3 and a molecular weight of 477.56 g/mol. Its IUPAC name is (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide
PubChem CID54587781
Molecular FormulaC24H33F2N5O3
Molecular Weight477.56 g/mol
Exact Mass477.26
IUPAC Name(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide
SMILESCCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CN2CCOCC2)cn1
InChIInChI=1S/C24H33F2N5O3/c1-4-5-20(28-22(32)12-17-10-18(25)13-19(26)11-17)23(33)29-21-14-31(16-27-21)24(2,3)15-30-6-8-34-9-7-30/h10-11,13-14,16,20H,4-9,12,15H2,1-3H3,(H,28,32)(H,29,33)/t20-/m0/s1
InChIKeyOQUHWHUICWTGQJ-FQEVSTJZSA-N
XLogP2.69
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide 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

Nirogacestat
CID 46224413
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[2-methyl-1-(oxan-4-ylmethylamino)propan-2-yl]imidazol-4-yl]pentanamide
CID 16112999
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide
CID 53327840
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]pentanamide
CID 54581935
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1-pentan-3-ylimidazol-4-yl)pentanamide
CID 54585748
(S)-2-[2-(3,5-Difluoro-phenyl)-acetylamino]-N-[1-(1,1-dimethyl-2-pyrrolidin-1-yl-ethyl)-1H-imidazol-4-yl]-2-phenyl-acetamide
CID 54582859
WH4V3479DC
CID 11757575
Nirogacestat Hydrobromide
CID 121513889
rac-1-(2-((1H-imidazol-1-yl)methyl)morpholino)-2-(4-fluorophenyl)ethanone
CID 46960541
methyl 2-[4-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoyl]amino]imidazol-1-yl]-2-methylpropanoate
CID 54580854
(2S)-N-[1-[1-(benzylamino)-2-methylpropan-2-yl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 54580879
methyl 2-[4-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoyl]amino]imidazol-1-yl]acetate
CID 54581914

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide?
The IUPAC name of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide (CID 54587781) is (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide.
What is the SMILES notation for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide?
The canonical SMILES for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide is CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CN2CCOCC2)cn1.
What is the InChIKey of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide?
The InChIKey is OQUHWHUICWTGQJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H33F2N5O3/c1-4-5-20(28-22(32)12-17-10-18(25)13-19(26)11-17)23(33)29-21-14-31(16-27-21)24(2,3)15-30-6-8-34-9-7-30/h10-11,13-14,16,20H,4-9,12,15H2,1-3H3,(H,28,32)(H,29,33)/t20-/m0/s1.
What are the key properties of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide?
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide has a molecular weight of 477.56 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide is sourced from PubChem (CID 54587781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).