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

C26H23N5O3 — CID 166456333

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

4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-pyrimidin-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 166456333) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-pyrimidin-2-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-pyrimidin-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 166456333
• Molecular Formula: C26H23N5O3
• Molecular Weight: 453.50 g/mol
• Exact Mass: 453.18
• IUPAC Name: 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-pyrimidin-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one
• SMILES: Cc1cccc(C)c1Oc1cn(C)c(=O)cc1-c1cn(C)c(=O)c2[nH]c(-c3ncccn3)cc12
• InChI: InChI=1S/C26H23N5O3/c1-15-7-5-8-16(2)24(15)34-21-14-30(3)22(32)12-17(21)19-13-31(4)26(33)23-18(19)11-20(29-23)25-27-9-6-10-28-25/h5-14,29H,1-4H3
• InChIKey: PFECCNUFSRCVEW-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 94.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.50
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-pyrimidin-2-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-pyrimidin-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 166456333) is 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-pyrimidin-2-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-pyrimidin-2-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-pyrimidin-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one is Cc1cccc(C)c1Oc1cn(C)c(=O)cc1-c1cn(C)c(=O)c2[nH]c(-c3ncccn3)cc12.

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

The InChIKey is PFECCNUFSRCVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-15-7-5-8-16(2)24(15)34-21-14-30(3)22(32)12-17(21)19-13-31(4)26(33)23-18(19)11-20(29-23)25-27-9-6-10-28-25/h5-14,29H,1-4H3.

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

4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-2-pyrimidin-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 453.50 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-pyrimidin-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 166456333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).