7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;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;4-chloro-5-methoxypyridin-2-amine;ethyl 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tungsten

C72H84Cl4F6N16O18S2W3 — CID 167551993

IUPAC7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;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;4-chloro-5-methoxypyridin-2-amine;ethyl 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tungsten
SMILESCCOC(=O)CC(=O)CC.CCOC(=O)c1c(CC)nc2cc(Cl)c(OC)cn12.CCc1nc2cc(Cl)c(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)cc1.CCc1nc2cc(Cl)c(OC)cn2c1C(=O)O.COC1=NN(c2ccc(CN)cc2)CCN1S(=O)(=O)C(F)(F)F.COc1cnc(N)cc1Cl.[W].[W].[W]
InChIInChI=1S/C23H24ClF3N6O5S.C13H15ClN2O3.C12H15F3N4O3S.C11H11ClN2O3.C7H12O3.C6H7ClN2O.3W/c1-4-17-20(31-13-18(37-2)16(24)11-19(31)29-17)21(34)28-12-14-5-7-15(8-6-14)32-9-10-33(22(30-32)38-3)39(35,36)23(25,26)27;1-4-9-12(13(17)19-5-2)16-7-10(18-3)8(14)6-11(16)15-9;1-22-11-17-18(10-4-2-9(8-16)3-5-10)6-7-19(11)23(20,21)12(13,14)15;1-3-7-10(11(15)16)14-5-8(17-2)6(12)4-9(14)13-7;1-3-6(8)5-7(9)10-4-2;1-10-5-3-9-6(8)2-4(5)7;;;/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,28,34);6-7H,4-5H2,1-3H3;2-5H,6-8,16H2,1H3;4-5H,3H2,1-2H3,(H,15,16);3-5H2,1-2H3;2-3H,1H3,(H2,8,9);;;
InChIKeyCNLASHZYYLRWJU-UHFFFAOYSA-N
MW2333.01 g/mol
LogP11.64
Rot. Bonds22

About 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;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;4-chloro-5-methoxypyridin-2-amine;ethyl 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tungsten

7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;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;4-chloro-5-methoxypyridin-2-amine;ethyl 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tungsten (PubChem CID 167551993) has the molecular formula C72H84Cl4F6N16O18S2W3 and a molecular weight of 2333.01 g/mol. Its IUPAC name is 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;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;4-chloro-5-methoxypyridin-2-amine;ethyl 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tungsten.

Molecular Properties

Compound Name7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;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;4-chloro-5-methoxypyridin-2-amine;ethyl 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tungsten
PubChem CID167551993
Molecular FormulaC72H84Cl4F6N16O18S2W3
Molecular Weight2333.01 g/mol
Exact Mass2330.28
IUPAC Name7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;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;4-chloro-5-methoxypyridin-2-amine;ethyl 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tungsten
SMILESCCOC(=O)CC(=O)CC.CCOC(=O)c1c(CC)nc2cc(Cl)c(OC)cn12.CCc1nc2cc(Cl)c(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)cc1.CCc1nc2cc(Cl)c(OC)cn2c1C(=O)O.COC1=NN(c2ccc(CN)cc2)CCN1S(=O)(=O)C(F)(F)F.COc1cnc(N)cc1Cl.[W].[W].[W]
InChIInChI=1S/C23H24ClF3N6O5S.C13H15ClN2O3.C12H15F3N4O3S.C11H11ClN2O3.C7H12O3.C6H7ClN2O.3W/c1-4-17-20(31-13-18(37-2)16(24)11-19(31)29-17)21(34)28-12-14-5-7-15(8-6-14)32-9-10-33(22(30-32)38-3)39(35,36)23(25,26)27;1-4-9-12(13(17)19-5-2)16-7-10(18-3)8(14)6-11(16)15-9;1-22-11-17-18(10-4-2-9(8-16)3-5-10)6-7-19(11)23(20,21)12(13,14)15;1-3-7-10(11(15)16)14-5-8(17-2)6(12)4-9(14)13-7;1-3-6(8)5-7(9)10-4-2;1-10-5-3-9-6(8)2-4(5)7;;;/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,28,34);6-7H,4-5H2,1-3H3;2-5H,6-8,16H2,1H3;4-5H,3H2,1-2H3,(H,15,16);3-5H2,1-2H3;2-3H,1H3,(H2,8,9);;;
InChIKeyCNLASHZYYLRWJU-UHFFFAOYSA-N
XLogP11.64
TPSA414.24 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms121
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002333.01
LogP ≤ 511.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;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;4-chloro-5-methoxypyridin-2-amine;ethyl 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tungsten with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;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;4-chloro-5-methoxypyridin-2-amine;ethyl 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tungsten?
The IUPAC name of 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;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;4-chloro-5-methoxypyridin-2-amine;ethyl 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tungsten (CID 167551993) is 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;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;4-chloro-5-methoxypyridin-2-amine;ethyl 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tungsten.
What is the SMILES notation for 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;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;4-chloro-5-methoxypyridin-2-amine;ethyl 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tungsten?
The canonical SMILES for 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;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;4-chloro-5-methoxypyridin-2-amine;ethyl 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tungsten is CCOC(=O)CC(=O)CC.CCOC(=O)c1c(CC)nc2cc(Cl)c(OC)cn12.CCc1nc2cc(Cl)c(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)cc1.CCc1nc2cc(Cl)c(OC)cn2c1C(=O)O.COC1=NN(c2ccc(CN)cc2)CCN1S(=O)(=O)C(F)(F)F.COc1cnc(N)cc1Cl.[W].[W].[W].
What is the InChIKey of 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;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;4-chloro-5-methoxypyridin-2-amine;ethyl 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tungsten?
The InChIKey is CNLASHZYYLRWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N6O5S.C13H15ClN2O3.C12H15F3N4O3S.C11H11ClN2O3.C7H12O3.C6H7ClN2O.3W/c1-4-17-20(31-13-18(37-2)16(24)11-19(31)29-17)21(34)28-12-14-5-7-15(8-6-14)32-9-10-33(22(30-32)38-3)39(35,36)23(25,26)27;1-4-9-12(13(17)19-5-2)16-7-10(18-3)8(14)6-11(16)15-9;1-22-11-17-18(10-4-2-9(8-16)3-5-10)6-7-19(11)23(20,21)12(13,14)15;1-3-7-10(11(15)16)14-5-8(17-2)6(12)4-9(14)13-7;1-3-6(8)5-7(9)10-4-2;1-10-5-3-9-6(8)2-4(5)7;;;/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,28,34);6-7H,4-5H2,1-3H3;2-5H,6-8,16H2,1H3;4-5H,3H2,1-2H3,(H,15,16);3-5H2,1-2H3;2-3H,1H3,(H2,8,9);;;.
What are the key properties of 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;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;4-chloro-5-methoxypyridin-2-amine;ethyl 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tungsten?
7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;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;4-chloro-5-methoxypyridin-2-amine;ethyl 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tungsten has a molecular weight of 2333.01 g/mol, XLogP of 11.64, 22 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid;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;4-chloro-5-methoxypyridin-2-amine;ethyl 7-chloro-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tungsten is sourced from PubChem (CID 167551993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).