2-ethyl-6-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;2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride

C42H41ClF10N12O7S2 — CID 167556024

IUPAC2-ethyl-6-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;2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
SMILESCCc1nc2ccc(F)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2ccc(F)cn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
InChIInChI=1S/C21H19F5N6O3S.C11H12F4N4O2S.C10H9FN2O2.ClH/c1-2-16-19(31-11-14(22)4-6-18(31)29-16)20(33)27-10-13-3-5-17(15(23)9-13)32-8-7-30(12-28-32)36(34,35)21(24,25)26;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;/h3-6,9,11-12H,2,7-8,10H2,1H3,(H,27,33);1-2,5,7H,3-4,6,16H2;3-5H,2H2,1H3,(H,14,15);1H
InChIKeyDNOJLRKSRPSEEL-UHFFFAOYSA-N
MW1115.43 g/mol
LogP6.37
Rot. Bonds11

About 2-ethyl-6-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;2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride

2-ethyl-6-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;2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (PubChem CID 167556024) has the molecular formula C42H41ClF10N12O7S2 and a molecular weight of 1115.43 g/mol. Its IUPAC name is 2-ethyl-6-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;2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-6-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;2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
PubChem CID167556024
Molecular FormulaC42H41ClF10N12O7S2
Molecular Weight1115.43 g/mol
Exact Mass1114.22
IUPAC Name2-ethyl-6-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;2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
SMILESCCc1nc2ccc(F)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2ccc(F)cn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
InChIInChI=1S/C21H19F5N6O3S.C11H12F4N4O2S.C10H9FN2O2.ClH/c1-2-16-19(31-11-14(22)4-6-18(31)29-16)20(33)27-10-13-3-5-17(15(23)9-13)32-8-7-30(12-28-32)36(34,35)21(24,25)26;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;/h3-6,9,11-12H,2,7-8,10H2,1H3,(H,27,33);1-2,5,7H,3-4,6,16H2;3-5H,2H2,1H3,(H,14,15);1H
InChIKeyDNOJLRKSRPSEEL-UHFFFAOYSA-N
XLogP6.37
TPSA232.98 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001115.43
LogP ≤ 56.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 2-ethyl-6-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;2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride with MolForge

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Related Compounds

2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-8-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 156160112
2-ethyl-6-pyrrolidin-1-yl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156160252
8-amino-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 156649095
Methyl 1-[4-[[(2-ethyl-6-methyl-imidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate
CID 165126372
2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,8-dimethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 165126514
2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 165413680
2-ethyl-6-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 165413948
2-ethyl-8-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 165413735
2-ethyl-6,8-difluoro-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 165413736
4-[6-(4-Fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 158445405
8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 158503217
Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methanamine
CID 159245797

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-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;2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of 2-ethyl-6-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;2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (CID 167556024) is 2-ethyl-6-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;2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for 2-ethyl-6-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;2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for 2-ethyl-6-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;2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is CCc1nc2ccc(F)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2ccc(F)cn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.
What is the InChIKey of 2-ethyl-6-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;2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
The InChIKey is DNOJLRKSRPSEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F5N6O3S.C11H12F4N4O2S.C10H9FN2O2.ClH/c1-2-16-19(31-11-14(22)4-6-18(31)29-16)20(33)27-10-13-3-5-17(15(23)9-13)32-8-7-30(12-28-32)36(34,35)21(24,25)26;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;/h3-6,9,11-12H,2,7-8,10H2,1H3,(H,27,33);1-2,5,7H,3-4,6,16H2;3-5H,2H2,1H3,(H,14,15);1H.
What are the key properties of 2-ethyl-6-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;2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
2-ethyl-6-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;2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride has a molecular weight of 1115.43 g/mol, XLogP of 6.37, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-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;2-ethyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 167556024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).