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

C73H80Cl7F8N23O13S2 — CID 167537320

About 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

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 (PubChem CID 167537320) has the molecular formula C73H80Cl7F8N23O13S2 and a molecular weight of 1951.88 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 167537320
• Molecular Formula: C73H80Cl7F8N23O13S2
• Molecular Weight: 1951.88 g/mol
• Exact Mass: 1947.34
• IUPAC Name: 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
• SMILES: CC.CCOC(=O)CC(=O)CC.CCOC(=O)c1c(CC)nc2nc(Cl)ccn12.CCc1nc2nc(Cl)ccn2c1C(=O)Cl.CCc1nc2nc(Cl)ccn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2nc(Cl)ccn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.Nc1nccc(Cl)n1
• InChI: InChI=1S/C20H18ClF4N7O3S.C11H12ClN3O2.C11H12F4N4O2S.C9H7Cl2N3O.C9H8ClN3O2.C7H12O3.C4H4ClN3.C2H6.ClH/c1-2-14-17(31-6-5-16(21)29-19(31)28-14)18(33)26-10-12-3-4-15(13(22)9-12)32-8-7-30(11-27-32)36(34,35)20(23,24)25;1-3-7-9(10(16)17-4-2)15-6-5-8(12)14-11(15)13-7;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;1-2-5-7(8(11)15)14-4-3-6(10)13-9(14)12-5;1-2-5-7(8(14)15)13-4-3-6(10)12-9(13)11-5;1-3-6(8)5-7(9)10-4-2;5-3-1-2-7-4(6)8-3;1-2;/h3-6,9,11H,2,7-8,10H2,1H3,(H,26,33);5-6H,3-4H2,1-2H3;1-2,5,7H,3-4,6,16H2;3-4H,2H2,1H3;3-4H,2H2,1H3,(H,14,15);3-5H2,1-2H3;1-2H,(H2,6,7,8);1-2H3;1H
• InChIKey: AXENUJBQOCADFG-UHFFFAOYSA-N
• XLogP: 13.30
• TPSA: 457.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1951.88
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC.CCOC(=O)CC(=O)CC.CCOC(=O)c1c(CC)nc2nc(Cl)ccn12.CCc1nc2nc(Cl)ccn2c1C(=O)Cl.CCc1nc2nc(Cl)ccn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2nc(Cl)ccn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.Nc1nccc(Cl)n1.

What is the InChIKey of 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?

The InChIKey is AXENUJBQOCADFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF4N7O3S.C11H12ClN3O2.C11H12F4N4O2S.C9H7Cl2N3O.C9H8ClN3O2.C7H12O3.C4H4ClN3.C2H6.ClH/c1-2-14-17(31-6-5-16(21)29-19(31)28-14)18(33)26-10-12-3-4-15(13(22)9-12)32-8-7-30(11-27-32)36(34,35)20(23,24)25;1-3-7-9(10(16)17-4-2)15-6-5-8(12)14-11(15)13-7;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;1-2-5-7(8(11)15)14-4-3-6(10)13-9(14)12-5;1-2-5-7(8(14)15)13-4-3-6(10)12-9(13)11-5;1-3-6(8)5-7(9)10-4-2;5-3-1-2-7-4(6)8-3;1-2;/h3-6,9,11H,2,7-8,10H2,1H3,(H,26,33);5-6H,3-4H2,1-2H3;1-2,5,7H,3-4,6,16H2;3-4H,2H2,1H3;3-4H,2H2,1H3,(H,14,15);3-5H2,1-2H3;1-2H,(H2,6,7,8);1-2H3;1H.

What are the key properties of 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?

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 has a molecular weight of 1951.88 g/mol, XLogP of 13.30, 20 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 167537320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).