4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione

C19H12N6O3 — CID 169331428

IUPAC4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1cccc(-c3cn4cccnc4n3)c1)C(=O)NC2=O
InChIInChI=1S/C19H12N6O3/c20-16-15-12(17(27)23-18(15)28)8-14(26)25(16)11-4-1-3-10(7-11)13-9-24-6-2-5-21-19(24)22-13/h1-9H,20H2,(H,23,27,28)
InChIKeyGKFBDMUCJZBTOD-UHFFFAOYSA-N
MW372.34 g/mol
LogP1.01
Rot. Bonds2

About 4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169331428) has the molecular formula C19H12N6O3 and a molecular weight of 372.34 g/mol. Its IUPAC name is 4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169331428
Molecular FormulaC19H12N6O3
Molecular Weight372.34 g/mol
Exact Mass372.10
IUPAC Name4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1cccc(-c3cn4cccnc4n3)c1)C(=O)NC2=O
InChIInChI=1S/C19H12N6O3/c20-16-15-12(17(27)23-18(15)28)8-14(26)25(16)11-4-1-3-10(7-11)13-9-24-6-2-5-21-19(24)22-13/h1-9H,20H2,(H,23,27,28)
InChIKeyGKFBDMUCJZBTOD-UHFFFAOYSA-N
XLogP1.01
TPSA124.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione
CID 168519884
4-amino-5-[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330161
4-amino-5-[3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329021
4-amino-5-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330271
4-amino-5-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327842
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-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328181
2-(3-bromophenyl)imidazo[1,2-a]pyrimidine
CID 14913301
4-amino-5-[3-(2-phenoxyethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327808
4-amino-5-[3-[(2-chlorophenoxy)methyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330002
4-amino-5-[3-(trifluoromethylsulfanyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331656
4-amino-5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328362

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169331428) is 4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is Nc1c2c(cc(=O)n1-c1cccc(-c3cn4cccnc4n3)c1)C(=O)NC2=O.
What is the InChIKey of 4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is GKFBDMUCJZBTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6O3/c20-16-15-12(17(27)23-18(15)28)8-14(26)25(16)11-4-1-3-10(7-11)13-9-24-6-2-5-21-19(24)22-13/h1-9H,20H2,(H,23,27,28).
What are the key properties of 4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 372.34 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169331428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).