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

C23H24F4N6O5S — CID 165413670

IUPAC2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1
InChIInChI=1S/C23H24F4N6O5S/c1-4-17-20(31-13-15(37-2)6-8-19(31)29-17)21(34)28-12-14-5-7-18(16(24)11-14)32-9-10-33(22(30-32)38-3)39(35,36)23(25,26)27/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,28,34)
InChIKeyJGSDTWMTURCVNP-UHFFFAOYSA-N
MW572.54 g/mol
LogP2.86
Rot. Bonds7

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

2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165413670) has the molecular formula C23H24F4N6O5S and a molecular weight of 572.54 g/mol. Its IUPAC name is 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID165413670
Molecular FormulaC23H24F4N6O5S
Molecular Weight572.54 g/mol
Exact Mass572.15
IUPAC Name2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1
InChIInChI=1S/C23H24F4N6O5S/c1-4-17-20(31-13-15(37-2)6-8-19(31)29-17)21(34)28-12-14-5-7-18(16(24)11-14)32-9-10-33(22(30-32)38-3)39(35,36)23(25,26)27/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,28,34)
InChIKeyJGSDTWMTURCVNP-UHFFFAOYSA-N
XLogP2.86
TPSA117.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.54
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

7-chloro-2-ethyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235224
7-chloro-2-ethyl-N-[[4-[N-methyl-4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 117859294
N-[2-(4-methoxyanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 145962418
US11345666, Example 51
CID 146286532
US11345666, Example 73
CID 146286561
US11345666, Example 77
CID 146286587
US11345666, Example 80
CID 146286588
US11345666, Example 49
CID 146286694
N-benzyl-N-methyl-3-({[2-(3-pyridinyloxy)ethyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 16191830
N-benzyl-N-methyl-3-({[3-(pyridin-3-yloxy)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 16191852
6-methoxy-2-methyl-N-[2-[4-[4-(trifluoromethyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 155528693
2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 155546889

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide (CID 165413670) is 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.
What is the InChIKey of 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JGSDTWMTURCVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N6O5S/c1-4-17-20(31-13-15(37-2)6-8-19(31)29-17)21(34)28-12-14-5-7-18(16(24)11-14)32-9-10-33(22(30-32)38-3)39(35,36)23(25,26)27/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,28,34).
What are the key properties of 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide?
2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 572.54 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165413670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).