4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

C19H20N4O5 — CID 169330854

IUPAC4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1cccc(OCCN3CCOCC3)c1)C(=O)NC2=O
InChIInChI=1S/C19H20N4O5/c20-17-16-14(18(25)21-19(16)26)11-15(24)23(17)12-2-1-3-13(10-12)28-9-6-22-4-7-27-8-5-22/h1-3,10-11H,4-9,20H2,(H,21,25,26)
InChIKeyBHLICKDACLNKGB-UHFFFAOYSA-N
MW384.39 g/mol
LogP0.01
Rot. Bonds5

About 4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169330854) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169330854
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1cccc(OCCN3CCOCC3)c1)C(=O)NC2=O
InChIInChI=1S/C19H20N4O5/c20-17-16-14(18(25)21-19(16)26)11-15(24)23(17)12-2-1-3-13(10-12)28-9-6-22-4-7-27-8-5-22/h1-3,10-11H,4-9,20H2,(H,21,25,26)
InChIKeyBHLICKDACLNKGB-UHFFFAOYSA-N
XLogP0.01
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione 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

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-(2,3,4,5,6-pentafluorophenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328362
1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine
CID 161408608
4-amino-5-(4-hexadecoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327233
4-amino-5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329372
2-[3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]acetic acid
CID 169327201
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
butyl 3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)benzoate
CID 169330590
4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine
CID 141374478
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169330854) is 4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is Nc1c2c(cc(=O)n1-c1cccc(OCCN3CCOCC3)c1)C(=O)NC2=O.
What is the InChIKey of 4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is BHLICKDACLNKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c20-17-16-14(18(25)21-19(16)26)11-15(24)23(17)12-2-1-3-13(10-12)28-9-6-22-4-7-27-8-5-22/h1-3,10-11H,4-9,20H2,(H,21,25,26).
What are the key properties of 4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 384.39 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169330854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).