4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione

C19H16N4O4 — CID 169328403

IUPAC4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCCOc1ccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1-n1cccc1
InChIInChI=1S/C19H16N4O4/c1-2-27-14-6-5-11(9-13(14)22-7-3-4-8-22)23-15(24)10-12-16(17(23)20)19(26)21-18(12)25/h3-10H,2,20H2,1H3,(H,21,25,26)
InChIKeyPZBVFKYLTBJJHJ-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.49
Rot. Bonds4

About 4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169328403) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169328403
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCCOc1ccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1-n1cccc1
InChIInChI=1S/C19H16N4O4/c1-2-27-14-6-5-11(9-13(14)22-7-3-4-8-22)23-15(24)10-12-16(17(23)20)19(26)21-18(12)25/h3-10H,2,20H2,1H3,(H,21,25,26)
InChIKeyPZBVFKYLTBJJHJ-UHFFFAOYSA-N
XLogP1.49
TPSA108.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-(2-ethoxy-5-iodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330744
4-amino-5-(2-butoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330593
4-amino-5-[4-(2-methylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327270
ethyl 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)benzoate
CID 169326707
4-amino-5-(4-bromo-3-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327552
4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327067
4-amino-5-(3-ethynyl-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329261
5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide
CID 169329629
4-amino-5-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330756
[5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methylphenyl]boronic acid
CID 169330068
4-amino-5-[3-(2-phenoxyethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327808
4-amino-5-(2-phenylmethoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327069

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169328403) is 4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is CCOc1ccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1-n1cccc1.
What is the InChIKey of 4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is PZBVFKYLTBJJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-2-27-14-6-5-11(9-13(14)22-7-3-4-8-22)23-15(24)10-12-16(17(23)20)19(26)21-18(12)25/h3-10H,2,20H2,1H3,(H,21,25,26).
What are the key properties of 4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 364.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169328403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).