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

C22H21F5N6O4S — CID 166010413

IUPAC2-ethyl-6-fluoro-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(F)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1
InChIInChI=1S/C22H21F5N6O4S/c1-3-16-19(31-12-14(23)5-7-18(31)29-16)20(34)28-11-13-4-6-17(15(24)10-13)32-8-9-33(21(30-32)37-2)38(35,36)22(25,26)27/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,28,34)
InChIKeyBMYUHQVTNVUZKZ-UHFFFAOYSA-N
MW560.51 g/mol
LogP2.99
Rot. Bonds6

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

2-ethyl-6-fluoro-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 166010413) has the molecular formula C22H21F5N6O4S and a molecular weight of 560.51 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-fluoro-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID166010413
Molecular FormulaC22H21F5N6O4S
Molecular Weight560.51 g/mol
Exact Mass560.13
IUPAC Name2-ethyl-6-fluoro-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(F)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1
InChIInChI=1S/C22H21F5N6O4S/c1-3-16-19(31-12-14(23)5-7-18(31)29-16)20(34)28-11-13-4-6-17(15(24)10-13)32-8-9-33(21(30-32)37-2)38(35,36)22(25,26)27/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,28,34)
InChIKeyBMYUHQVTNVUZKZ-UHFFFAOYSA-N
XLogP2.99
TPSA108.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-6-fluoro-N-[[3-fluoro-4-[3-methoxy-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

N-[[4-[[(2S)-4-cyclohexyl-1-[(1-methylsulfonylpiperidin-3-yl)amino]-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 155568238
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-2-ethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234864
N-[(E)-1-(2-fluorophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 9669494
N-benzyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 881566
2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24784332
N-benzyl-2,7-dimethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 52912224
N-[(3-fluorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 53248895
7-chloro-2-ethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469409
2,7-dimethyl-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 57395220
5-(4-fluorophenyl)-N,14-dimethyl-10-methylsulfonyl-3,6,10-triazatricyclo[7.5.0.03,7]tetradeca-1,4,6,8-tetraene-4-carboxamide
CID 68063060
N-benzyl-2,6-dimethylimidazo(1,2-a)pyridine-3-carboxamide
CID 68234658

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-ethyl-6-fluoro-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 166010413) is 2-ethyl-6-fluoro-N-[[3-fluoro-4-[3-methoxy-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 2-ethyl-6-fluoro-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-ethyl-6-fluoro-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(F)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.
What is the InChIKey of 2-ethyl-6-fluoro-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BMYUHQVTNVUZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F5N6O4S/c1-3-16-19(31-12-14(23)5-7-18(31)29-16)20(34)28-11-13-4-6-17(15(24)10-13)32-8-9-33(21(30-32)37-2)38(35,36)22(25,26)27/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,28,34).
What are the key properties of 2-ethyl-6-fluoro-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-ethyl-6-fluoro-N-[[3-fluoro-4-[3-methoxy-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 560.51 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-N-[[3-fluoro-4-[3-methoxy-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 166010413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).