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

C15H10ClN5O3 — CID 169327687

IUPAC4-amino-5-(6-chloro-2-methylindazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCn1cc2cc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)c(Cl)cc2n1
InChIInChI=1S/C15H10ClN5O3/c1-20-5-6-2-10(8(16)4-9(6)19-20)21-11(22)3-7-12(13(21)17)15(24)18-14(7)23/h2-5H,17H2,1H3,(H,18,23,24)
InChIKeyWYNQCWUWRFPOBE-UHFFFAOYSA-N
MW343.73 g/mol
LogP0.84
Rot. Bonds1

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

4-amino-5-(6-chloro-2-methylindazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169327687) has the molecular formula C15H10ClN5O3 and a molecular weight of 343.73 g/mol. Its IUPAC name is 4-amino-5-(6-chloro-2-methylindazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-(6-chloro-2-methylindazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169327687
Molecular FormulaC15H10ClN5O3
Molecular Weight343.73 g/mol
Exact Mass343.05
IUPAC Name4-amino-5-(6-chloro-2-methylindazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCn1cc2cc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)c(Cl)cc2n1
InChIInChI=1S/C15H10ClN5O3/c1-20-5-6-2-10(8(16)4-9(6)19-20)21-11(22)3-7-12(13(21)17)15(24)18-14(7)23/h2-5H,17H2,1H3,(H,18,23,24)
InChIKeyWYNQCWUWRFPOBE-UHFFFAOYSA-N
XLogP0.84
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 50.84
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-(2-fluoro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331420
[3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-chlorophenyl]boronic acid
CID 169327645
4-amino-5-(4-fluoro-2-iodo-3-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329625
4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327356
4-amino-5-(2,3,4-trifluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326725
4-amino-5-(2,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331463
4-amino-5-(3-chloro-4,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328079
4-amino-5-(2,3-dichloro-6-fluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331295
4-amino-5-(2-chloro-4-nitrophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326693
3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-chlorobenzamide
CID 169327104
2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-5-chloro-N,N-dimethylbenzamide
CID 169328368
4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326967

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(6-chloro-2-methylindazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-(6-chloro-2-methylindazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169327687) is 4-amino-5-(6-chloro-2-methylindazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-(6-chloro-2-methylindazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-(6-chloro-2-methylindazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione is Cn1cc2cc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)c(Cl)cc2n1.
What is the InChIKey of 4-amino-5-(6-chloro-2-methylindazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is WYNQCWUWRFPOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O3/c1-20-5-6-2-10(8(16)4-9(6)19-20)21-11(22)3-7-12(13(21)17)15(24)18-14(7)23/h2-5H,17H2,1H3,(H,18,23,24).
What are the key properties of 4-amino-5-(6-chloro-2-methylindazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-(6-chloro-2-methylindazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 343.73 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(6-chloro-2-methylindazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169327687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).