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

C41H47ClF6N14O7S2 — CID 167595665

IUPAC2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
SMILESC.CCc1nc2ncccn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.CCc1nc2ncccn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1
InChIInChI=1S/C20H20F3N7O3S.C11H13F3N4O2S.C9H9N3O2.CH4.ClH/c1-2-16-17(29-9-3-8-24-19(29)27-16)18(31)25-12-14-4-6-15(7-5-14)30-11-10-28(13-26-30)34(32,33)20(21,22)23;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;1-2-6-7(8(13)14)12-5-3-4-10-9(12)11-6;;/h3-9,13H,2,10-12H2,1H3,(H,25,31);1-4,8H,5-7,15H2;3-5H,2H2,1H3,(H,13,14);1H4;1H
InChIKeyFREMETAVTKHSRB-UHFFFAOYSA-N
MW1061.49 g/mol
LogP5.24
Rot. Bonds11

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

2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (PubChem CID 167595665) has the molecular formula C41H47ClF6N14O7S2 and a molecular weight of 1061.49 g/mol. Its IUPAC name is 2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
PubChem CID167595665
Molecular FormulaC41H47ClF6N14O7S2
Molecular Weight1061.49 g/mol
Exact Mass1060.28
IUPAC Name2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
SMILESC.CCc1nc2ncccn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.CCc1nc2ncccn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1
InChIInChI=1S/C20H20F3N7O3S.C11H13F3N4O2S.C9H9N3O2.CH4.ClH/c1-2-16-17(29-9-3-8-24-19(29)27-16)18(31)25-12-14-4-6-15(7-5-14)30-11-10-28(13-26-30)34(32,33)20(21,22)23;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;1-2-6-7(8(13)14)12-5-3-4-10-9(12)11-6;;/h3-9,13H,2,10-12H2,1H3,(H,25,31);1-4,8H,5-7,15H2;3-5H,2H2,1H3,(H,13,14);1H4;1H
InChIKeyFREMETAVTKHSRB-UHFFFAOYSA-N
XLogP5.24
TPSA258.76 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001061.49
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[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-N6,N6-dimethyl-N3-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide
CID 156160101
2-ethyl-N6-methyl-N3-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide
CID 156160102
2-ethyl-6-methyl-N-[[4-[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 171395454
2-ethyl-6-N,6-N-dimethyl-3-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,6-dicarboxamide;molecular hydrogen
CID 165126456
7-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;7-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carbonyl chloride;7-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;4-chloropyrimidin-2-amine;ethane;ethyl 7-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
CID 167537320
2-ethyl-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-7-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;dihydrochloride
CID 167545347
2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[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 167552488
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
lithium;ethyl 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;2-methyloxolane;5-methylpyrimidin-2-amine;tris(yttrium)
CID 167569298
2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 167584394
[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride
CID 167585472
6-methoxy-2-(methoxymethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid;6-methoxy-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
CID 167587970

Frequently Asked Questions

What is the IUPAC name of 2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of 2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (CID 167595665) is 2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for 2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for 2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is C.CCc1nc2ncccn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.CCc1nc2ncccn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.
What is the InChIKey of 2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
The InChIKey is FREMETAVTKHSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7O3S.C11H13F3N4O2S.C9H9N3O2.CH4.ClH/c1-2-16-17(29-9-3-8-24-19(29)27-16)18(31)25-12-14-4-6-15(7-5-14)30-11-10-28(13-26-30)34(32,33)20(21,22)23;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;1-2-6-7(8(13)14)12-5-3-4-10-9(12)11-6;;/h3-9,13H,2,10-12H2,1H3,(H,25,31);1-4,8H,5-7,15H2;3-5H,2H2,1H3,(H,13,14);1H4;1H.
What are the key properties of 2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride has a molecular weight of 1061.49 g/mol, XLogP of 5.24, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 167595665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).