3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide

C25H22F2N8O4 — CID 178109222

About 3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide

3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide (PubChem CID 178109222) has the molecular formula C25H22F2N8O4 and a molecular weight of 536.50 g/mol. Its IUPAC name is 3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide.

Molecular Properties

• Compound Name: 3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
• PubChem CID: 178109222
• Molecular Formula: C25H22F2N8O4
• Molecular Weight: 536.50 g/mol
• Exact Mass: 536.17
• IUPAC Name: 3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
• SMILES: Cc1c(-c2ccc(-n3c(OC(F)F)nn(C)c3=O)cn2)ccnc1N1CCN(c2cccc(C(N)=O)c2)C1=O
• InChI: InChI=1S/C25H22F2N8O4/c1-14-18(19-7-6-17(13-30-19)35-23(39-22(26)27)31-32(2)24(35)37)8-9-29-21(14)34-11-10-33(25(34)38)16-5-3-4-15(12-16)20(28)36/h3-9,12-13,22H,10-11H2,1-2H3,(H2,28,36)
• InChIKey: ANMBPTGUXVBHTA-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 141.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.50
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide?

The IUPAC name of 3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide (CID 178109222) is 3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide.

What is the SMILES notation for 3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide?

The canonical SMILES for 3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide is Cc1c(-c2ccc(-n3c(OC(F)F)nn(C)c3=O)cn2)ccnc1N1CCN(c2cccc(C(N)=O)c2)C1=O.

What is the InChIKey of 3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide?

The InChIKey is ANMBPTGUXVBHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N8O4/c1-14-18(19-7-6-17(13-30-19)35-23(39-22(26)27)31-32(2)24(35)37)8-9-29-21(14)34-11-10-33(25(34)38)16-5-3-4-15(12-16)20(28)36/h3-9,12-13,22H,10-11H2,1-2H3,(H2,28,36).

What are the key properties of 3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide?

3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide has a molecular weight of 536.50 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide is sourced from PubChem (CID 178109222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).