(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methylamino]methanol

C22H24ClF3N6O3S — CID 165126478

About (6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methylamino]methanol

(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methylamino]methanol (PubChem CID 165126478) has the molecular formula C22H24ClF3N6O3S and a molecular weight of 544.99 g/mol. Its IUPAC name is (6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methylamino]methanol.

Molecular Properties

• Compound Name: (6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methylamino]methanol
• PubChem CID: 165126478
• Molecular Formula: C22H24ClF3N6O3S
• Molecular Weight: 544.99 g/mol
• Exact Mass: 544.13
• IUPAC Name: (6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methylamino]methanol
• SMILES: CCc1nc2cc(C)c(Cl)cn2c1C(O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1
• InChI: InChI=1S/C22H24ClF3N6O3S/c1-3-18-20(31-12-17(23)14(2)10-19(31)29-18)21(33)27-11-15-4-6-16(7-5-15)32-9-8-30(13-28-32)36(34,35)22(24,25)26/h4-7,10,12-13,21,27,33H,3,8-9,11H2,1-2H3
• InChIKey: RQZXHQAVZZVXOX-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 102.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.99
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methylamino]methanol?

The IUPAC name of (6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methylamino]methanol (CID 165126478) is (6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methylamino]methanol.

What is the SMILES notation for (6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methylamino]methanol?

The canonical SMILES for (6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methylamino]methanol is CCc1nc2cc(C)c(Cl)cn2c1C(O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.

What is the InChIKey of (6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methylamino]methanol?

The InChIKey is RQZXHQAVZZVXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N6O3S/c1-3-18-20(31-12-17(23)14(2)10-19(31)29-18)21(33)27-11-15-4-6-16(7-5-15)32-9-8-30(13-28-32)36(34,35)22(24,25)26/h4-7,10,12-13,21,27,33H,3,8-9,11H2,1-2H3.

What are the key properties of (6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methylamino]methanol?

(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methylamino]methanol has a molecular weight of 544.99 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridin-3-yl)-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methylamino]methanol is sourced from PubChem (CID 165126478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).