8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride

C42H41Cl3F8N12O7S2 — CID 167675724

IUPAC8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
SMILESCCc1nc2c(Cl)cccn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2c(Cl)cccn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
InChIInChI=1S/C21H19ClF4N6O3S.C11H12F4N4O2S.C10H9ClN2O2.ClH/c1-2-16-18(31-7-3-4-14(22)19(31)29-16)20(33)27-11-13-5-6-17(15(23)10-13)32-9-8-30(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;1-2-7-8(10(14)15)13-5-3-4-6(11)9(13)12-7;/h3-7,10,12H,2,8-9,11H2,1H3,(H,27,33);1-2,5,7H,3-4,6,16H2;3-5H,2H2,1H3,(H,14,15);1H
InChIKeyRBWTYBAKIJCIQP-UHFFFAOYSA-N
MW1148.34 g/mol
LogP7.40
Rot. Bonds11

About 8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride

8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[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 167675724) has the molecular formula C42H41Cl3F8N12O7S2 and a molecular weight of 1148.34 g/mol. Its IUPAC name is 8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[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 Name8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[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 CID167675724
Molecular FormulaC42H41Cl3F8N12O7S2
Molecular Weight1148.34 g/mol
Exact Mass1146.16
IUPAC Name8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
SMILESCCc1nc2c(Cl)cccn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2c(Cl)cccn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
InChIInChI=1S/C21H19ClF4N6O3S.C11H12F4N4O2S.C10H9ClN2O2.ClH/c1-2-16-18(31-7-3-4-14(22)19(31)29-16)20(33)27-11-13-5-6-17(15(23)10-13)32-9-8-30(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;1-2-7-8(10(14)15)13-5-3-4-6(11)9(13)12-7;/h3-7,10,12H,2,8-9,11H2,1H3,(H,27,33);1-2,5,7H,3-4,6,16H2;3-5H,2H2,1H3,(H,14,15);1H
InChIKeyRBWTYBAKIJCIQP-UHFFFAOYSA-N
XLogP7.40
TPSA232.98 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001148.34
LogP ≤ 57.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[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

6-chloro-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156160012
6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156160109
8-chloro-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 156160190
6-chloro-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
CID 156160191
6-chloro-2-ethyl-N-[[2-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156160224
6-chloro-2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156649150
6-chloro-2-ethyl-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 165126363
6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 165126392
6,8-dichloro-2-ethyl-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 165126393
6,7-dichloro-2-ethyl-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 165126437
6-chloro-2-ethyl-N-[[3-fluoro-4-[3-isopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165413671
8-chloro-2-ethyl-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 165413677

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[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 8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[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 167675724) is 8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[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 8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[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 8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[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 CCc1nc2c(Cl)cccn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2c(Cl)cccn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.
What is the InChIKey of 8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[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 RBWTYBAKIJCIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF4N6O3S.C11H12F4N4O2S.C10H9ClN2O2.ClH/c1-2-16-18(31-7-3-4-14(22)19(31)29-16)20(33)27-11-13-5-6-17(15(23)10-13)32-9-8-30(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;1-2-7-8(10(14)15)13-5-3-4-6(11)9(13)12-7;/h3-7,10,12H,2,8-9,11H2,1H3,(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 8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[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 1148.34 g/mol, XLogP of 7.40, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[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 167675724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).