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

C21H18ClF5N6O3S — CID 165413686

IUPAC6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(F)c(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
InChIInChI=1S/C21H18ClF5N6O3S/c1-2-16-19(32-10-13(22)14(23)8-18(32)30-16)20(34)28-9-12-3-4-17(15(24)7-12)33-6-5-31(11-29-33)37(35,36)21(25,26)27/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,28,34)
InChIKeyGKZPCASDUHTWBJ-UHFFFAOYSA-N
MW564.92 g/mol
LogP3.67
Rot. Bonds6

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

6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165413686) has the molecular formula C21H18ClF5N6O3S and a molecular weight of 564.92 g/mol. Its IUPAC name is 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID165413686
Molecular FormulaC21H18ClF5N6O3S
Molecular Weight564.92 g/mol
Exact Mass564.08
IUPAC Name6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(F)c(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
InChIInChI=1S/C21H18ClF5N6O3S/c1-2-16-19(32-10-13(22)14(23)8-18(32)30-16)20(34)28-9-12-3-4-17(15(24)7-12)33-6-5-31(11-29-33)37(35,36)21(25,26)27/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,28,34)
InChIKeyGKZPCASDUHTWBJ-UHFFFAOYSA-N
XLogP3.67
TPSA99.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.92
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

7-chloro-2-ethyl-N-[[4-(4-methylphenyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469219
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469411
7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67402849
7-chloro-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 68234693
6-chloro-2-ethyl-N-[[4-(4-methylphenyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234858
7-chloro-2-ethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234864
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235232
7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71293843
MtTMPK-IN-7
CID 154573942
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 52935296
N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 53248894
N-[(3-fluorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 53248895

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 165413686) is 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2cc(F)c(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.
What is the InChIKey of 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GKZPCASDUHTWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF5N6O3S/c1-2-16-19(32-10-13(22)14(23)8-18(32)30-16)20(34)28-9-12-3-4-17(15(24)7-12)33-6-5-31(11-29-33)37(35,36)21(25,26)27/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,28,34).
What are the key properties of 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 564.92 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165413686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).