4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde;N,N',N'-trimethylethane-1,2-diamine

C28H34FN5O4 — CID 163274079

About 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde;N,N',N'-trimethylethane-1,2-diamine

4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde;N,N',N'-trimethylethane-1,2-diamine (PubChem CID 163274079) has the molecular formula C28H34FN5O4 and a molecular weight of 523.61 g/mol. Its IUPAC name is 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde;N,N',N'-trimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde;N,N',N'-trimethylethane-1,2-diamine
• PubChem CID: 163274079
• Molecular Formula: C28H34FN5O4
• Molecular Weight: 523.61 g/mol
• Exact Mass: 523.26
• IUPAC Name: 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde;N,N',N'-trimethylethane-1,2-diamine
• SMILES: CNCCN(C)C.Cc1cc(F)cc(C)c1Oc1cn(C)c(=O)cc1-c1cn(C)c(=O)c2[nH]c(C=O)cc12
• InChI: InChI=1S/C23H20FN3O4.C5H14N2/c1-12-5-14(24)6-13(2)22(12)31-19-10-26(3)20(29)8-16(19)18-9-27(4)23(30)21-17(18)7-15(11-28)25-21;1-6-4-5-7(2)3/h5-11,25H,1-4H3;6H,4-5H2,1-3H3
• InChIKey: XWGCVIAKFVIQJQ-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 101.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.61
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde;N,N',N'-trimethylethane-1,2-diamine?

The IUPAC name of 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde;N,N',N'-trimethylethane-1,2-diamine (CID 163274079) is 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde;N,N',N'-trimethylethane-1,2-diamine.

What is the SMILES notation for 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde;N,N',N'-trimethylethane-1,2-diamine?

The canonical SMILES for 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde;N,N',N'-trimethylethane-1,2-diamine is CNCCN(C)C.Cc1cc(F)cc(C)c1Oc1cn(C)c(=O)cc1-c1cn(C)c(=O)c2[nH]c(C=O)cc12.

What is the InChIKey of 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde;N,N',N'-trimethylethane-1,2-diamine?

The InChIKey is XWGCVIAKFVIQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4.C5H14N2/c1-12-5-14(24)6-13(2)22(12)31-19-10-26(3)20(29)8-16(19)18-9-27(4)23(30)21-17(18)7-15(11-28)25-21;1-6-4-5-7(2)3/h5-11,25H,1-4H3;6H,4-5H2,1-3H3.

What are the key properties of 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde;N,N',N'-trimethylethane-1,2-diamine?

4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde;N,N',N'-trimethylethane-1,2-diamine has a molecular weight of 523.61 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(4-fluoro-2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde;N,N',N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 163274079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).