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

C26H23F2N5O3 — CID 171828015

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

2-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 171828015) has the molecular formula C26H23F2N5O3 and a molecular weight of 491.50 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)pyrazol-4-yl]-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-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 171828015
• Molecular Formula: C26H23F2N5O3
• Molecular Weight: 491.50 g/mol
• Exact Mass: 491.18
• IUPAC Name: 2-[1-(difluoromethyl)pyrazol-4-yl]-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(-c3cnn(C(F)F)c3)cc12
• InChI: InChI=1S/C26H23F2N5O3/c1-14-6-5-7-15(2)24(14)36-21-13-31(3)22(34)9-17(21)19-12-32(4)25(35)23-18(19)8-20(30-23)16-10-29-33(11-16)26(27)28/h5-13,26,30H,1-4H3
• InChIKey: AQHCAXHZQWRACF-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 86.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.50
LogP ≤ 5	4.90
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 2-[1-(difluoromethyl)pyrazol-4-yl]-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-[1-(difluoromethyl)pyrazol-4-yl]-4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 171828015) is 2-[1-(difluoromethyl)pyrazol-4-yl]-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-[1-(difluoromethyl)pyrazol-4-yl]-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-[1-(difluoromethyl)pyrazol-4-yl]-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(-c3cnn(C(F)F)c3)cc12.

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

The InChIKey is AQHCAXHZQWRACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O3/c1-14-6-5-7-15(2)24(14)36-21-13-31(3)22(34)9-17(21)19-12-32(4)25(35)23-18(19)8-20(30-23)16-10-29-33(11-16)26(27)28/h5-13,26,30H,1-4H3.

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

2-[1-(difluoromethyl)pyrazol-4-yl]-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 491.50 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(difluoromethyl)pyrazol-4-yl]-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 171828015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).