2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methoxy-6-methylimidazo[1,2-a]pyridine-3-carboxamide

C23H24F4N6O4S — CID 165126469

IUPAC2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methoxy-6-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(OC)c(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
InChIInChI=1S/C23H24F4N6O4S/c1-4-17-21(32-12-14(2)19(37-3)10-20(32)30-17)22(34)28-11-15-5-6-18(16(24)9-15)33-8-7-31(13-29-33)38(35,36)23(25,26)27/h5-6,9-10,12-13H,4,7-8,11H2,1-3H3,(H,28,34)
InChIKeyLHQWBKQXZDNCBE-UHFFFAOYSA-N
MW556.54 g/mol
LogP3.20
Rot. Bonds7

About 2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methoxy-6-methylimidazo[1,2-a]pyridine-3-carboxamide

2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methoxy-6-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165126469) has the molecular formula C23H24F4N6O4S and a molecular weight of 556.54 g/mol. Its IUPAC name is 2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methoxy-6-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methoxy-6-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID165126469
Molecular FormulaC23H24F4N6O4S
Molecular Weight556.54 g/mol
Exact Mass556.15
IUPAC Name2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methoxy-6-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(OC)c(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
InChIInChI=1S/C23H24F4N6O4S/c1-4-17-21(32-12-14(2)19(37-3)10-20(32)30-17)22(34)28-11-15-5-6-18(16(24)9-15)33-8-7-31(13-29-33)38(35,36)23(25,26)27/h5-6,9-10,12-13H,4,7-8,11H2,1-3H3,(H,28,34)
InChIKeyLHQWBKQXZDNCBE-UHFFFAOYSA-N
XLogP3.20
TPSA108.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methoxy-6-methylimidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

CID 138393285
CID 138393285
C23H24FN5O6S
CID 155513958
1-Benzyl-8-methoxy-1h,3h-pyrido[2,1-f]purine-2,4-dione
CID 11427243
1-Benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione
CID 11035880
1-Benzyl-3-hexyl-8-methoxypurino[7,8-a]pyridine-2,4-dione
CID 137633287
1-Benzyl-3-ethyl-8-methoxypurino[7,8-a]pyridine-2,4-dione
CID 137636269
1-Benzyl-3-but-3-enyl-8-methoxypurino[7,8-a]pyridine-2,4-dione
CID 137644606
1-Benzyl-3-butyl-8-methoxypurino[7,8-a]pyridine-2,4-dione
CID 137648440
1-Benzyl-8-methoxy-3-prop-2-enylpurino[7,8-a]pyridine-2,4-dione
CID 137651967
1-Benzyl-3-heptyl-8-methoxypurino[7,8-a]pyridine-2,4-dione
CID 137652690
1-Benzyl-8-methoxy-3-methylpurino[7,8-a]pyridine-2,4-dione
CID 137654164
1-Benzyl-8-methoxy-3-pentylpurino[7,8-a]pyridine-2,4-dione
CID 137661744

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methoxy-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methoxy-6-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 165126469) is 2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methoxy-6-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methoxy-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methoxy-6-methylimidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2cc(OC)c(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.
What is the InChIKey of 2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methoxy-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LHQWBKQXZDNCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N6O4S/c1-4-17-21(32-12-14(2)19(37-3)10-20(32)30-17)22(34)28-11-15-5-6-18(16(24)9-15)33-8-7-31(13-29-33)38(35,36)23(25,26)27/h5-6,9-10,12-13H,4,7-8,11H2,1-3H3,(H,28,34).
What are the key properties of 2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methoxy-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methoxy-6-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 556.54 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methoxy-6-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165126469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).