4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(1-methyltriazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-one

C25H24N6O3 — CID 166456256

About 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(1-methyltriazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-one

4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(1-methyltriazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 166456256) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(1-methyltriazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(1-methyltriazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 166456256
• Molecular Formula: C25H24N6O3
• Molecular Weight: 456.51 g/mol
• Exact Mass: 456.19
• IUPAC Name: 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(1-methyltriazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-one
• SMILES: Cc1cccc(C)c1Oc1cn(C)c(=O)cc1-c1cn(C)c(=O)c2[nH]c(-c3cn(C)nn3)cc12
• InChI: InChI=1S/C25H24N6O3/c1-14-7-6-8-15(2)24(14)34-21-13-29(3)22(32)10-16(21)18-11-30(4)25(33)23-17(18)9-19(26-23)20-12-31(5)28-27-20/h6-13,26H,1-5H3
• InChIKey: NKJXOFLXNPQKHO-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 99.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.51
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(1-methyltriazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-one?

The IUPAC name of 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(1-methyltriazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-one (CID 166456256) is 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(1-methyltriazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-one.

What is the SMILES notation for 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(1-methyltriazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-one?

The canonical SMILES for 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(1-methyltriazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-one is Cc1cccc(C)c1Oc1cn(C)c(=O)cc1-c1cn(C)c(=O)c2[nH]c(-c3cn(C)nn3)cc12.

What is the InChIKey of 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(1-methyltriazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-one?

The InChIKey is NKJXOFLXNPQKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-14-7-6-8-15(2)24(14)34-21-13-29(3)22(32)10-16(21)18-11-30(4)25(33)23-17(18)9-19(26-23)20-12-31(5)28-27-20/h6-13,26H,1-5H3.

What are the key properties of 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(1-methyltriazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-one?

4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(1-methyltriazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 456.51 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-(1-methyltriazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 166456256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).