1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one

C23H23ClF3N5O4S — CID 167641009

About 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one

1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one (PubChem CID 167641009) has the molecular formula C23H23ClF3N5O4S and a molecular weight of 557.98 g/mol. Its IUPAC name is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one.

Molecular Properties

• Compound Name: 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one
• PubChem CID: 167641009
• Molecular Formula: C23H23ClF3N5O4S
• Molecular Weight: 557.98 g/mol
• Exact Mass: 557.11
• IUPAC Name: 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)cc1
• InChI: InChI=1S/C23H23ClF3N5O4S/c1-3-18-21(30-14-16(24)7-11-20(30)28-18)19(33)10-6-15-4-8-17(9-5-15)31-12-13-32(22(29-31)36-2)37(34,35)23(25,26)27/h4-5,7-9,11,14H,3,6,10,12-13H2,1-2H3
• InChIKey: COFMYMLJGAMDEZ-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 96.58 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.98
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?

The IUPAC name of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one (CID 167641009) is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one.

What is the SMILES notation for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?

The canonical SMILES for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one is CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)cc1.

What is the InChIKey of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?

The InChIKey is COFMYMLJGAMDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N5O4S/c1-3-18-21(30-14-16(24)7-11-20(30)28-18)19(33)10-6-15-4-8-17(9-5-15)31-12-13-32(22(29-31)36-2)37(34,35)23(25,26)27/h4-5,7-9,11,14H,3,6,10,12-13H2,1-2H3.

What are the key properties of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?

1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one has a molecular weight of 557.98 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 167641009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).