4-amino-5-(5,7-dibromo-1H-indazol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione

C14H7Br2N5O3 — CID 169329003

IUPAC4-amino-5-(5,7-dibromo-1H-indazol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1c(Br)cc(Br)c3[nH]ncc13)C(=O)NC2=O
InChIInChI=1S/C14H7Br2N5O3/c15-6-2-7(16)11(5-3-18-20-10(5)6)21-8(22)1-4-9(12(21)17)14(24)19-13(4)23/h1-3H,17H2,(H,18,20)(H,19,23,24)
InChIKeyWQYYIJKODTZUJP-UHFFFAOYSA-N
MW453.05 g/mol
LogP1.70
Rot. Bonds1

About 4-amino-5-(5,7-dibromo-1H-indazol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-(5,7-dibromo-1H-indazol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169329003) has the molecular formula C14H7Br2N5O3 and a molecular weight of 453.05 g/mol. Its IUPAC name is 4-amino-5-(5,7-dibromo-1H-indazol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-(5,7-dibromo-1H-indazol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169329003
Molecular FormulaC14H7Br2N5O3
Molecular Weight453.05 g/mol
Exact Mass450.89
IUPAC Name4-amino-5-(5,7-dibromo-1H-indazol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1c(Br)cc(Br)c3[nH]ncc13)C(=O)NC2=O
InChIInChI=1S/C14H7Br2N5O3/c15-6-2-7(16)11(5-3-18-20-10(5)6)21-8(22)1-4-9(12(21)17)14(24)19-13(4)23/h1-3H,17H2,(H,18,20)(H,19,23,24)
InChIKeyWQYYIJKODTZUJP-UHFFFAOYSA-N
XLogP1.70
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.05
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-(4,6-dibromo-2,3-dichlorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327157
2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-3,5-dibromo-6-fluorobenzonitrile
CID 169327158
4-amino-5-(6-bromo-2,3-dimethyl-4-nitrophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330079
4-amino-5-(2,3,4,5,6-pentafluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326934
4-amino-5-(4-bromo-2,6-diethylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327103
methyl 2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-3,5-dibromobenzoate
CID 169331225
4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-3-bromo-5-nitrobenzamide
CID 169328237
2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-bromo-5-fluorobenzonitrile
CID 169331383
4-amino-5-(4-bromo-2,3-dimethyl-6-nitrophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327237
4-amino-5-(2,6-difluoro-4-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328596
4-amino-5-(6-bromo-3-chloro-2-nitrophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328862
ethyl 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-3-bromo-5-fluorobenzoate
CID 169328463

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(5,7-dibromo-1H-indazol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-(5,7-dibromo-1H-indazol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169329003) is 4-amino-5-(5,7-dibromo-1H-indazol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-(5,7-dibromo-1H-indazol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-(5,7-dibromo-1H-indazol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione is Nc1c2c(cc(=O)n1-c1c(Br)cc(Br)c3[nH]ncc13)C(=O)NC2=O.
What is the InChIKey of 4-amino-5-(5,7-dibromo-1H-indazol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is WQYYIJKODTZUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2N5O3/c15-6-2-7(16)11(5-3-18-20-10(5)6)21-8(22)1-4-9(12(21)17)14(24)19-13(4)23/h1-3H,17H2,(H,18,20)(H,19,23,24).
What are the key properties of 4-amino-5-(5,7-dibromo-1H-indazol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-(5,7-dibromo-1H-indazol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 453.05 g/mol, XLogP of 1.70, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(5,7-dibromo-1H-indazol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169329003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).