N-[5-[(2R)-3-hydroxy-2-phenylpropanoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide

C25H35N3O3Si — CID 162158103

IUPACN-[5-[(2R)-3-hydroxy-2-phenylpropanoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide
SMILESCC1(C)C2=C(CN1C(=O)[C@@H](CO)c1ccccc1)C(NC(=O)C1([Si](C)(C)C)CCC1)=NC2
InChIInChI=1S/C25H35N3O3Si/c1-24(2)20-14-26-21(27-23(31)25(12-9-13-25)32(3,4)5)18(20)15-28(24)22(30)19(16-29)17-10-7-6-8-11-17/h6-8,10-11,19,29H,9,12-16H2,1-5H3,(H,26,27,31)/t19-/m0/s1
InChIKeyZMCGAEIRBZPJCL-IBGZPJMESA-N
MW453.66 g/mol
LogP3.47
Rot. Bonds5

About N-[5-[(2R)-3-hydroxy-2-phenylpropanoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide

N-[5-[(2R)-3-hydroxy-2-phenylpropanoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide (PubChem CID 162158103) has the molecular formula C25H35N3O3Si and a molecular weight of 453.66 g/mol. Its IUPAC name is N-[5-[(2R)-3-hydroxy-2-phenylpropanoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(2R)-3-hydroxy-2-phenylpropanoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide
PubChem CID162158103
Molecular FormulaC25H35N3O3Si
Molecular Weight453.66 g/mol
Exact Mass453.24
IUPAC NameN-[5-[(2R)-3-hydroxy-2-phenylpropanoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide
SMILESCC1(C)C2=C(CN1C(=O)[C@@H](CO)c1ccccc1)C(NC(=O)C1([Si](C)(C)C)CCC1)=NC2
InChIInChI=1S/C25H35N3O3Si/c1-24(2)20-14-26-21(27-23(31)25(12-9-13-25)32(3,4)5)18(20)15-28(24)22(30)19(16-29)17-10-7-6-8-11-17/h6-8,10-11,19,29H,9,12-16H2,1-5H3,(H,26,27,31)/t19-/m0/s1
InChIKeyZMCGAEIRBZPJCL-IBGZPJMESA-N
XLogP3.47
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.66
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-[(2R)-3-hydroxy-2-phenylpropanoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-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

(2S)-2-[[6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]amino]-2-phenylacetic acid
CID 159427353
[(2S)-2-[[6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]amino]-2-phenylethyl] hexadecanoate
CID 158718642
5-[(2-hydroxy-1-phenylethyl)carbamoyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-4H-pyrrolo[3,4-c]pyrazole-2-carboxylic acid
CID 151131557
N-(2-hydroxy-2-phenylethyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 140817031
N-[1-(3-fluorophenyl)-2-hydroxyethyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 140817078
N-(3-hydroxy-3-methyl-1-phenylbutyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 140817098
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[(5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 159156987
[(1S)-2-(dimethylamino)-1-phenylethyl] 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 157137836
N-[1-(4-fluorophenyl)-3-hydroxy-2,2-dimethylpropyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 140817107
3-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]-N-[(R)-dimethylamino(phenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide;sulfane
CID 158292873
[(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] 3-[(4-fluorobenzoyl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxylate;[2-(dimethylamino)-1-(2-fluorophenyl)ethyl] 3-[(4-fluorobenzoyl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxylate;sulfane
CID 159283208
1-methyl-N-[(2R)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]cyclopentane-1-carboxamide
CID 95183567

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-3-hydroxy-2-phenylpropanoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide?
The IUPAC name of N-[5-[(2R)-3-hydroxy-2-phenylpropanoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide (CID 162158103) is N-[5-[(2R)-3-hydroxy-2-phenylpropanoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[5-[(2R)-3-hydroxy-2-phenylpropanoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide?
The canonical SMILES for N-[5-[(2R)-3-hydroxy-2-phenylpropanoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide is CC1(C)C2=C(CN1C(=O)[C@@H](CO)c1ccccc1)C(NC(=O)C1([Si](C)(C)C)CCC1)=NC2.
What is the InChIKey of N-[5-[(2R)-3-hydroxy-2-phenylpropanoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide?
The InChIKey is ZMCGAEIRBZPJCL-IBGZPJMESA-N. The full InChI is InChI=1S/C25H35N3O3Si/c1-24(2)20-14-26-21(27-23(31)25(12-9-13-25)32(3,4)5)18(20)15-28(24)22(30)19(16-29)17-10-7-6-8-11-17/h6-8,10-11,19,29H,9,12-16H2,1-5H3,(H,26,27,31)/t19-/m0/s1.
What are the key properties of N-[5-[(2R)-3-hydroxy-2-phenylpropanoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide?
N-[5-[(2R)-3-hydroxy-2-phenylpropanoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide has a molecular weight of 453.66 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-3-hydroxy-2-phenylpropanoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide is sourced from PubChem (CID 162158103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).