2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methoxy-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

C44H49ClF6N12O9S2 — CID 167591243

IUPAC2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methoxy-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
SMILESCCc1nc2ccc(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.CCc1nc2ccc(OC)cn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1
InChIInChI=1S/C22H23F3N6O4S.C11H13F3N4O2S.C11H12N2O3.ClH/c1-3-18-20(30-13-17(35-2)8-9-19(30)28-18)21(32)26-12-15-4-6-16(7-5-15)31-11-10-29(14-27-31)36(33,34)22(23,24)25;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;1-3-8-10(11(14)15)13-6-7(16-2)4-5-9(13)12-8;/h4-9,13-14H,3,10-12H2,1-2H3,(H,26,32);1-4,8H,5-7,15H2;4-6H,3H2,1-2H3,(H,14,15);1H
InChIKeyJDSQUYOOXHXCGR-UHFFFAOYSA-N
MW1103.53 g/mol
LogP5.84
Rot. Bonds13

About 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methoxy-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

2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methoxy-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 (PubChem CID 167591243) has the molecular formula C44H49ClF6N12O9S2 and a molecular weight of 1103.53 g/mol. Its IUPAC name is 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methoxy-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.

Molecular Properties

Compound Name2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methoxy-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
PubChem CID167591243
Molecular FormulaC44H49ClF6N12O9S2
Molecular Weight1103.53 g/mol
Exact Mass1102.28
IUPAC Name2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methoxy-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
SMILESCCc1nc2ccc(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.CCc1nc2ccc(OC)cn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1
InChIInChI=1S/C22H23F3N6O4S.C11H13F3N4O2S.C11H12N2O3.ClH/c1-3-18-20(30-13-17(35-2)8-9-19(30)28-18)21(32)26-12-15-4-6-16(7-5-15)31-11-10-29(14-27-31)36(33,34)22(23,24)25;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;1-3-8-10(11(14)15)13-6-7(16-2)4-5-9(13)12-8;/h4-9,13-14H,3,10-12H2,1-2H3,(H,26,32);1-4,8H,5-7,15H2;4-6H,3H2,1-2H3,(H,14,15);1H
InChIKeyJDSQUYOOXHXCGR-UHFFFAOYSA-N
XLogP5.84
TPSA251.44 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001103.53
LogP ≤ 55.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methoxy-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 with MolForge

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Related Compounds

N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117077607
5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10-methyl-13-oxa-3,6,10-triazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide
CID 156160050
2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156160113
7-chloro-2-ethyl-6-methoxy-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156160203
5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide
CID 165126375
2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxy-8-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 165126420
7-chloro-2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165413668
2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxy-imidazo[1,2-a]pyridine-3-carboxamide
CID 165413670
7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxy-imidazo[1,2-a]pyridine-3-carboxamide
CID 165413723
11-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide
CID 165413949
2-ethyl-6-methoxy-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165414138
6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 165414199

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methoxy-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?
The IUPAC name of 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methoxy-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 167591243) is 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methoxy-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.
What is the SMILES notation for 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methoxy-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?
The canonical SMILES for 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methoxy-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 is CCc1nc2ccc(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.CCc1nc2ccc(OC)cn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.
What is the InChIKey of 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methoxy-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?
The InChIKey is JDSQUYOOXHXCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O4S.C11H13F3N4O2S.C11H12N2O3.ClH/c1-3-18-20(30-13-17(35-2)8-9-19(30)28-18)21(32)26-12-15-4-6-16(7-5-15)31-11-10-29(14-27-31)36(33,34)22(23,24)25;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;1-3-8-10(11(14)15)13-6-7(16-2)4-5-9(13)12-8;/h4-9,13-14H,3,10-12H2,1-2H3,(H,26,32);1-4,8H,5-7,15H2;4-6H,3H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methoxy-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?
2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methoxy-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 has a molecular weight of 1103.53 g/mol, XLogP of 5.84, 13 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methoxy-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 is sourced from PubChem (CID 167591243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).