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

C29H24F3N3O3 — CID 171828148

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

2-[3-(difluoromethyl)-2-fluorophenyl]-4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 171828148) has the molecular formula C29H24F3N3O3 and a molecular weight of 519.52 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-2-fluorophenyl]-4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 2-[3-(difluoromethyl)-2-fluorophenyl]-4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 171828148
• Molecular Formula: C29H24F3N3O3
• Molecular Weight: 519.52 g/mol
• Exact Mass: 519.18
• IUPAC Name: 2-[3-(difluoromethyl)-2-fluorophenyl]-4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
• SMILES: Cc1cccc(C)c1Oc1cn(C)c(=O)cc1-c1cn(C)c(=O)c2[nH]c(-c3cccc(C(F)F)c3F)cc12
• InChI: InChI=1S/C29H24F3N3O3/c1-15-7-5-8-16(2)27(15)38-23-14-34(3)24(36)12-19(23)21-13-35(4)29(37)26-20(21)11-22(33-26)17-9-6-10-18(25(17)30)28(31)32/h5-14,28,33H,1-4H3
• InChIKey: UFWMZWFGWDKLQT-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 69.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.52
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[3-(difluoromethyl)-2-fluorophenyl]-4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 171828148) is 2-[3-(difluoromethyl)-2-fluorophenyl]-4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

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

The canonical SMILES for 2-[3-(difluoromethyl)-2-fluorophenyl]-4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cc1cccc(C)c1Oc1cn(C)c(=O)cc1-c1cn(C)c(=O)c2[nH]c(-c3cccc(C(F)F)c3F)cc12.

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

The InChIKey is UFWMZWFGWDKLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N3O3/c1-15-7-5-8-16(2)27(15)38-23-14-34(3)24(36)12-19(23)21-13-35(4)29(37)26-20(21)11-22(33-26)17-9-6-10-18(25(17)30)28(31)32/h5-14,28,33H,1-4H3.

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

2-[3-(difluoromethyl)-2-fluorophenyl]-4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 519.52 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(difluoromethyl)-2-fluorophenyl]-4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 171828148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).