[1-[4-[[(7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium

C22H23ClFN6O3Tl — CID 156649149

About [1-[4-[[(7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium

[1-[4-[[(7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium (PubChem CID 156649149) has the molecular formula C22H23ClFN6O3Tl and a molecular weight of 678.30 g/mol. Its IUPAC name is [1-[4-[[(7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium.

Molecular Properties

• Compound Name: [1-[4-[[(7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium
• PubChem CID: 156649149
• Molecular Formula: C22H23ClFN6O3Tl
• Molecular Weight: 678.30 g/mol
• Exact Mass: 678.12
• IUPAC Name: [1-[4-[[(7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium
• SMILES: CCc1nc2cc(Cl)c(OC)cn2c1C(=O)NCc1ccc(N2CCN([Tl])C(OC)=N2)c(F)c1
• InChI: InChI=1S/C22H24ClFN6O3.Tl/c1-4-16-20(29-12-18(32-2)14(23)10-19(29)27-16)21(31)26-11-13-5-6-17(15(24)9-13)30-8-7-25-22(28-30)33-3;/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H2,25,26,28,31);/q;+1/p-1
• InChIKey: DJABYNXHRQXUHW-UHFFFAOYSA-M
• XLogP: 2.75
• TPSA: 83.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	678.30
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-[4-[[(7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium?

The IUPAC name of [1-[4-[[(7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium (CID 156649149) is [1-[4-[[(7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium.

What is the SMILES notation for [1-[4-[[(7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium?

The canonical SMILES for [1-[4-[[(7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium is CCc1nc2cc(Cl)c(OC)cn2c1C(=O)NCc1ccc(N2CCN([Tl])C(OC)=N2)c(F)c1.

What is the InChIKey of [1-[4-[[(7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium?

The InChIKey is DJABYNXHRQXUHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H24ClFN6O3.Tl/c1-4-16-20(29-12-18(32-2)14(23)10-19(29)27-16)21(31)26-11-13-5-6-17(15(24)9-13)30-8-7-25-22(28-30)33-3;/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H2,25,26,28,31);/q;+1/p-1.

What are the key properties of [1-[4-[[(7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium?

[1-[4-[[(7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium has a molecular weight of 678.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-[[(7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium is sourced from PubChem (CID 156649149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).