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

C25H34FN3O3Si — CID 158754869

IUPACN-[5-[2-(3-fluorophenyl)-2-methoxyacetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide
SMILESCOC(C(=O)N1CC2=C(CN=C2NC(=O)C2([Si](C)(C)C)CCC2)C1(C)C)c1cccc(F)c1
InChIInChI=1S/C25H34FN3O3Si/c1-24(2)19-14-27-21(28-23(31)25(11-8-12-25)33(4,5)6)18(19)15-29(24)22(30)20(32-3)16-9-7-10-17(26)13-16/h7,9-10,13,20H,8,11-12,14-15H2,1-6H3,(H,27,28,31)
InChIKeyINYBLQQFIYNWQL-UHFFFAOYSA-N
MW471.65 g/mol
LogP4.22
Rot. Bonds5

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

N-[5-[2-(3-fluorophenyl)-2-methoxyacetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide (PubChem CID 158754869) has the molecular formula C25H34FN3O3Si and a molecular weight of 471.65 g/mol. Its IUPAC name is N-[5-[2-(3-fluorophenyl)-2-methoxyacetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(3-fluorophenyl)-2-methoxyacetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide
PubChem CID158754869
Molecular FormulaC25H34FN3O3Si
Molecular Weight471.65 g/mol
Exact Mass471.24
IUPAC NameN-[5-[2-(3-fluorophenyl)-2-methoxyacetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide
SMILESCOC(C(=O)N1CC2=C(CN=C2NC(=O)C2([Si](C)(C)C)CCC2)C1(C)C)c1cccc(F)c1
InChIInChI=1S/C25H34FN3O3Si/c1-24(2)19-14-27-21(28-23(31)25(11-8-12-25)33(4,5)6)18(19)15-29(24)22(30)20(32-3)16-9-7-10-17(26)13-16/h7,9-10,13,20H,8,11-12,14-15H2,1-6H3,(H,27,28,31)
InChIKeyINYBLQQFIYNWQL-UHFFFAOYSA-N
XLogP4.22
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-[2-(3-fluorophenyl)-2-methoxyacetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-fluorophenyl)-2-methoxyacetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide?
The IUPAC name of N-[5-[2-(3-fluorophenyl)-2-methoxyacetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide (CID 158754869) is N-[5-[2-(3-fluorophenyl)-2-methoxyacetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[5-[2-(3-fluorophenyl)-2-methoxyacetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide?
The canonical SMILES for N-[5-[2-(3-fluorophenyl)-2-methoxyacetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide is COC(C(=O)N1CC2=C(CN=C2NC(=O)C2([Si](C)(C)C)CCC2)C1(C)C)c1cccc(F)c1.
What is the InChIKey of N-[5-[2-(3-fluorophenyl)-2-methoxyacetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide?
The InChIKey is INYBLQQFIYNWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN3O3Si/c1-24(2)19-14-27-21(28-23(31)25(11-8-12-25)33(4,5)6)18(19)15-29(24)22(30)20(32-3)16-9-7-10-17(26)13-16/h7,9-10,13,20H,8,11-12,14-15H2,1-6H3,(H,27,28,31).
What are the key properties of N-[5-[2-(3-fluorophenyl)-2-methoxyacetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide?
N-[5-[2-(3-fluorophenyl)-2-methoxyacetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide has a molecular weight of 471.65 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-fluorophenyl)-2-methoxyacetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrrol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide is sourced from PubChem (CID 158754869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).