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

C20H15N3O4 — CID 169327069

IUPAC4-amino-5-(2-phenylmethoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1ccccc1OCc1ccccc1)C(=O)NC2=O
InChIInChI=1S/C20H15N3O4/c21-18-17-13(19(25)22-20(17)26)10-16(24)23(18)14-8-4-5-9-15(14)27-11-12-6-2-1-3-7-12/h1-10H,11,21H2,(H,22,25,26)
InChIKeyOKKUWDAKSYNQBB-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.88
Rot. Bonds4

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

4-amino-5-(2-phenylmethoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169327069) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 4-amino-5-(2-phenylmethoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-(2-phenylmethoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169327069
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name4-amino-5-(2-phenylmethoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1ccccc1OCc1ccccc1)C(=O)NC2=O
InChIInChI=1S/C20H15N3O4/c21-18-17-13(19(25)22-20(17)26)10-16(24)23(18)14-8-4-5-9-15(14)27-11-12-6-2-1-3-7-12/h1-10H,11,21H2,(H,22,25,26)
InChIKeyOKKUWDAKSYNQBB-UHFFFAOYSA-N
XLogP1.88
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-(2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326722
4-amino-5-[3-[(2-chlorophenoxy)methyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330002
4-amino-5-[3-(4-phenylmethoxyphenyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330485
4-amino-5-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329906
4-amino-5-[2-(2-hydroxyethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326899
4-amino-5-(2-tert-butylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326916
4-amino-5-[4-[(4-chlorophenyl)methoxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329403
4-amino-5-(2-ethoxy-5-iodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330744
benzyl 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-hydroxybenzoate
CID 169330341
4-amino-5-[3-(2-phenoxyethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327808
4-amino-5-(2-propanoylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328184
4-amino-5-[2-(benzylamino)-5-bromophenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331073

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-phenylmethoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-(2-phenylmethoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169327069) is 4-amino-5-(2-phenylmethoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-(2-phenylmethoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-(2-phenylmethoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is Nc1c2c(cc(=O)n1-c1ccccc1OCc1ccccc1)C(=O)NC2=O.
What is the InChIKey of 4-amino-5-(2-phenylmethoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is OKKUWDAKSYNQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c21-18-17-13(19(25)22-20(17)26)10-16(24)23(18)14-8-4-5-9-15(14)27-11-12-6-2-1-3-7-12/h1-10H,11,21H2,(H,22,25,26).
What are the key properties of 4-amino-5-(2-phenylmethoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-(2-phenylmethoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 361.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-phenylmethoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169327069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).