4-amino-5-[3-(3-trimethoxysilylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

C19H23N3O7Si — CID 169330737

IUPAC4-amino-5-[3-(3-trimethoxysilylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCO[Si](CCCOc1cccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1)(OC)OC
InChIInChI=1S/C19H23N3O7Si/c1-26-30(27-2,28-3)9-5-8-29-13-7-4-6-12(10-13)22-15(23)11-14-16(17(22)20)19(25)21-18(14)24/h4,6-7,10-11H,5,8-9,20H2,1-3H3,(H,21,24,25)
InChIKeyWNRHYIJOIOTBBT-UHFFFAOYSA-N
MW433.49 g/mol
LogP0.95
Rot. Bonds9

About 4-amino-5-[3-(3-trimethoxysilylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-[3-(3-trimethoxysilylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169330737) has the molecular formula C19H23N3O7Si and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-amino-5-[3-(3-trimethoxysilylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-[3-(3-trimethoxysilylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169330737
Molecular FormulaC19H23N3O7Si
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name4-amino-5-[3-(3-trimethoxysilylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCO[Si](CCCOc1cccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1)(OC)OC
InChIInChI=1S/C19H23N3O7Si/c1-26-30(27-2,28-3)9-5-8-29-13-7-4-6-12(10-13)22-15(23)11-14-16(17(22)20)19(25)21-18(14)24/h4,6-7,10-11H,5,8-9,20H2,1-3H3,(H,21,24,25)
InChIKeyWNRHYIJOIOTBBT-UHFFFAOYSA-N
XLogP0.95
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-[3-(2-phenoxyethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327808
4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327067
4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330854
4-amino-5-(4-hexadecoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327233
butyl 3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)benzoate
CID 169330590
4-amino-5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329372
4-amino-5-[3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330471
4-amino-5-[4-(2-methylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327270
ethyl 2-[3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenoxy]pyridine-4-carboxylate
CID 169329828
4-amino-5-[3-(4-phenylmethoxyphenyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330485
2-[3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]acetic acid
CID 169327201
2-[3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]-2-methylpropanenitrile
CID 169329692

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[3-(3-trimethoxysilylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-[3-(3-trimethoxysilylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169330737) is 4-amino-5-[3-(3-trimethoxysilylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-[3-(3-trimethoxysilylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-[3-(3-trimethoxysilylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is CO[Si](CCCOc1cccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1)(OC)OC.
What is the InChIKey of 4-amino-5-[3-(3-trimethoxysilylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is WNRHYIJOIOTBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O7Si/c1-26-30(27-2,28-3)9-5-8-29-13-7-4-6-12(10-13)22-15(23)11-14-16(17(22)20)19(25)21-18(14)24/h4,6-7,10-11H,5,8-9,20H2,1-3H3,(H,21,24,25).
What are the key properties of 4-amino-5-[3-(3-trimethoxysilylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-[3-(3-trimethoxysilylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 433.49 g/mol, XLogP of 0.95, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[3-(3-trimethoxysilylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169330737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).