6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C22H23F3N6O5S — CID 165414199

About 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165414199) has the molecular formula C22H23F3N6O5S and a molecular weight of 540.52 g/mol. Its IUPAC name is 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 165414199
• Molecular Formula: C22H23F3N6O5S
• Molecular Weight: 540.52 g/mol
• Exact Mass: 540.14
• IUPAC Name: 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: COC1=NN(c2ccc(CNC(=O)c3c(C)nc4ccc(OC)cn34)cc2)CCN1S(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C22H23F3N6O5S/c1-14-19(29-13-17(35-2)8-9-18(29)27-14)20(32)26-12-15-4-6-16(7-5-15)30-10-11-31(21(28-30)36-3)37(33,34)22(23,24)25/h4-9,13H,10-12H2,1-3H3,(H,26,32)
• InChIKey: ZRKJDCVPZCHLBH-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 117.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.52
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 165414199) is 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is COC1=NN(c2ccc(CNC(=O)c3c(C)nc4ccc(OC)cn34)cc2)CCN1S(=O)(=O)C(F)(F)F.

What is the InChIKey of 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is ZRKJDCVPZCHLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O5S/c1-14-19(29-13-17(35-2)8-9-18(29)27-14)20(32)26-12-15-4-6-16(7-5-15)30-10-11-31(21(28-30)36-3)37(33,34)22(23,24)25/h4-9,13H,10-12H2,1-3H3,(H,26,32).

What are the key properties of 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 540.52 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165414199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).