2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride

C47H57ClF6N12O7S2 — CID 167673899

IUPAC2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
SMILESC.CC1=NN(c2ccc(CN)cc2)CCN1S(=O)(=O)C(F)(F)F.CCc1nc2ccc(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(C)=N2)cc1.CCc1nc2ccc(C)cn2c1C(=O)O.Cl
InChIInChI=1S/C23H25F3N6O3S.C12H15F3N4O2S.C11H12N2O2.CH4.ClH/c1-4-19-21(30-14-15(2)5-10-20(30)28-19)22(33)27-13-17-6-8-18(9-7-17)31-11-12-32(16(3)29-31)36(34,35)23(24,25)26;1-9-17-18(11-4-2-10(8-16)3-5-11)6-7-19(9)22(20,21)12(13,14)15;1-3-8-10(11(14)15)13-6-7(2)4-5-9(13)12-8;;/h5-10,14H,4,11-13H2,1-3H3,(H,27,33);2-5H,6-8,16H2,1H3;4-6H,3H2,1-2H3,(H,14,15);1H4;1H
InChIKeyJEDRZOFEAITXFQ-UHFFFAOYSA-N
MW1115.62 g/mol
LogP7.85
Rot. Bonds11

About 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride

2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (PubChem CID 167673899) has the molecular formula C47H57ClF6N12O7S2 and a molecular weight of 1115.62 g/mol. Its IUPAC name is 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
PubChem CID167673899
Molecular FormulaC47H57ClF6N12O7S2
Molecular Weight1115.62 g/mol
Exact Mass1114.35
IUPAC Name2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
SMILESC.CC1=NN(c2ccc(CN)cc2)CCN1S(=O)(=O)C(F)(F)F.CCc1nc2ccc(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(C)=N2)cc1.CCc1nc2ccc(C)cn2c1C(=O)O.Cl
InChIInChI=1S/C23H25F3N6O3S.C12H15F3N4O2S.C11H12N2O2.CH4.ClH/c1-4-19-21(30-14-15(2)5-10-20(30)28-19)22(33)27-13-17-6-8-18(9-7-17)31-11-12-32(16(3)29-31)36(34,35)23(24,25)26;1-9-17-18(11-4-2-10(8-16)3-5-11)6-7-19(9)22(20,21)12(13,14)15;1-3-8-10(11(14)15)13-6-7(2)4-5-9(13)12-8;;/h5-10,14H,4,11-13H2,1-3H3,(H,27,33);2-5H,6-8,16H2,1H3;4-6H,3H2,1-2H3,(H,14,15);1H4;1H
InChIKeyJEDRZOFEAITXFQ-UHFFFAOYSA-N
XLogP7.85
TPSA232.98 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001115.62
LogP ≤ 57.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride with MolForge

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Related Compounds

N-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 165126555
2-ethyl-6-methyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171395411
6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 165414199
2-ethyl-6-methyl-N-[[4-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165126724
6-chloro-2-ethyl-N-[[3-fluoro-4-[3-propan-2-yl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165413671
2-ethyl-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 166657384
2-ethyl-N-[[4-[4-(4-phosphanylphenyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 144782840
N-[[3-fluoro-4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 165126387
2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442149
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442269
2-ethyl-6-methyl-N-[(1-methylindol-6-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469011
2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 165413743

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (CID 167673899) is 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is C.CC1=NN(c2ccc(CN)cc2)CCN1S(=O)(=O)C(F)(F)F.CCc1nc2ccc(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(C)=N2)cc1.CCc1nc2ccc(C)cn2c1C(=O)O.Cl.
What is the InChIKey of 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
The InChIKey is JEDRZOFEAITXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O3S.C12H15F3N4O2S.C11H12N2O2.CH4.ClH/c1-4-19-21(30-14-15(2)5-10-20(30)28-19)22(33)27-13-17-6-8-18(9-7-17)31-11-12-32(16(3)29-31)36(34,35)23(24,25)26;1-9-17-18(11-4-2-10(8-16)3-5-11)6-7-19(9)22(20,21)12(13,14)15;1-3-8-10(11(14)15)13-6-7(2)4-5-9(13)12-8;;/h5-10,14H,4,11-13H2,1-3H3,(H,27,33);2-5H,6-8,16H2,1H3;4-6H,3H2,1-2H3,(H,14,15);1H4;1H.
What are the key properties of 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride has a molecular weight of 1115.62 g/mol, XLogP of 7.85, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 167673899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).