4-amino-5-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

C21H15N5O3 — CID 169327842

IUPAC4-amino-5-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCc1ccn2cc(-c3ccc(-n4c(N)c5c(cc4=O)C(=O)NC5=O)cc3)nc2c1
InChIInChI=1S/C21H15N5O3/c1-11-6-7-25-10-15(23-16(25)8-11)12-2-4-13(5-3-12)26-17(27)9-14-18(19(26)22)21(29)24-20(14)28/h2-10H,22H2,1H3,(H,24,28,29)
InChIKeyHZFYPNJMUQUNND-UHFFFAOYSA-N
MW385.38 g/mol
LogP1.93
Rot. Bonds2

About 4-amino-5-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169327842) has the molecular formula C21H15N5O3 and a molecular weight of 385.38 g/mol. Its IUPAC name is 4-amino-5-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169327842
Molecular FormulaC21H15N5O3
Molecular Weight385.38 g/mol
Exact Mass385.12
IUPAC Name4-amino-5-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCc1ccn2cc(-c3ccc(-n4c(N)c5c(cc4=O)C(=O)NC5=O)cc3)nc2c1
InChIInChI=1S/C21H15N5O3/c1-11-6-7-25-10-15(23-16(25)8-11)12-2-4-13(5-3-12)26-17(27)9-14-18(19(26)22)21(29)24-20(14)28/h2-10H,22H2,1H3,(H,24,28,29)
InChIKeyHZFYPNJMUQUNND-UHFFFAOYSA-N
XLogP1.93
TPSA111.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 51.93
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-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328181
4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326967
4-amino-5-(2,3-dimethylquinoxalin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330627
4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331428
2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide
CID 169327838
4-amino-5-[4-(3-methylimidazol-4-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331027
4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)benzenesulfonamide
CID 169326806
2-(4-tert-butylphenyl)-7-methylimidazo[1,2-a]pyridine
CID 4837144
4-amino-5-(1-methylindol-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328611
4-amino-5-(2-methyl-1,3-benzoxazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329749
ethyl 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)benzoate
CID 169326707
4-amino-5-(2-methyl-1-benzofuran-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327876

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169327842) is 4-amino-5-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is Cc1ccn2cc(-c3ccc(-n4c(N)c5c(cc4=O)C(=O)NC5=O)cc3)nc2c1.
What is the InChIKey of 4-amino-5-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is HZFYPNJMUQUNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O3/c1-11-6-7-25-10-15(23-16(25)8-11)12-2-4-13(5-3-12)26-17(27)9-14-18(19(26)22)21(29)24-20(14)28/h2-10H,22H2,1H3,(H,24,28,29).
What are the key properties of 4-amino-5-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 385.38 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169327842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).