6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N,N-diethylethanamine;methane;2-methyloxolane;propane-1-sulfonyl chloride

C58H84Cl3N13O8S2 — CID 167544994

About 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N,N-diethylethanamine;methane;2-methyloxolane;propane-1-sulfonyl chloride

6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N,N-diethylethanamine;methane;2-methyloxolane;propane-1-sulfonyl chloride (PubChem CID 167544994) has the molecular formula C58H84Cl3N13O8S2 and a molecular weight of 1261.89 g/mol. Its IUPAC name is 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N,N-diethylethanamine;methane;2-methyloxolane;propane-1-sulfonyl chloride.

Molecular Properties

• Compound Name: 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N,N-diethylethanamine;methane;2-methyloxolane;propane-1-sulfonyl chloride
• PubChem CID: 167544994
• Molecular Formula: C58H84Cl3N13O8S2
• Molecular Weight: 1261.89 g/mol
• Exact Mass: 1259.51
• IUPAC Name: 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N,N-diethylethanamine;methane;2-methyloxolane;propane-1-sulfonyl chloride
• SMILES: C.CC1CCCO1.CCCS(=O)(=O)Cl.CCN(CC)CC.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)CCOC)C=N2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN=CN2)cc1
• InChI: InChI=1S/C23H27ClN6O4S.C20H21ClN6O.C6H15N.C5H10O.C3H7ClO2S.CH4/c1-3-20-22(29-15-18(24)6-9-21(29)27-20)23(31)25-14-17-4-7-19(8-5-17)30-11-10-28(16-26-30)35(32,33)13-12-34-2;1-2-17-19(26-12-15(21)5-8-18(26)25-17)20(28)23-11-14-3-6-16(7-4-14)27-10-9-22-13-24-27;1-4-7(5-2)6-3;1-5-3-2-4-6-5;1-2-3-7(4,5)6;/h4-9,15-16H,3,10-14H2,1-2H3,(H,25,31);3-8,12-13H,2,9-11H2,1H3,(H,22,24)(H,23,28);4-6H2,1-3H3;5H,2-4H2,1H3;2-3H2,1H3;1H4
• InChIKey: BRDQDRXSJUUXPL-UHFFFAOYSA-N
• XLogP: 9.49
• TPSA: 229.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1261.89
LogP ≤ 5	9.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N,N-diethylethanamine;methane;2-methyloxolane;propane-1-sulfonyl chloride?

The IUPAC name of 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N,N-diethylethanamine;methane;2-methyloxolane;propane-1-sulfonyl chloride (CID 167544994) is 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N,N-diethylethanamine;methane;2-methyloxolane;propane-1-sulfonyl chloride.

What is the SMILES notation for 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N,N-diethylethanamine;methane;2-methyloxolane;propane-1-sulfonyl chloride?

The canonical SMILES for 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N,N-diethylethanamine;methane;2-methyloxolane;propane-1-sulfonyl chloride is C.CC1CCCO1.CCCS(=O)(=O)Cl.CCN(CC)CC.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)CCOC)C=N2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN=CN2)cc1.

What is the InChIKey of 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N,N-diethylethanamine;methane;2-methyloxolane;propane-1-sulfonyl chloride?

The InChIKey is BRDQDRXSJUUXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O4S.C20H21ClN6O.C6H15N.C5H10O.C3H7ClO2S.CH4/c1-3-20-22(29-15-18(24)6-9-21(29)27-20)23(31)25-14-17-4-7-19(8-5-17)30-11-10-28(16-26-30)35(32,33)13-12-34-2;1-2-17-19(26-12-15(21)5-8-18(26)25-17)20(28)23-11-14-3-6-16(7-4-14)27-10-9-22-13-24-27;1-4-7(5-2)6-3;1-5-3-2-4-6-5;1-2-3-7(4,5)6;/h4-9,15-16H,3,10-14H2,1-2H3,(H,25,31);3-8,12-13H,2,9-11H2,1H3,(H,22,24)(H,23,28);4-6H2,1-3H3;5H,2-4H2,1H3;2-3H2,1H3;1H4.

What are the key properties of 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N,N-diethylethanamine;methane;2-methyloxolane;propane-1-sulfonyl chloride?

6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N,N-diethylethanamine;methane;2-methyloxolane;propane-1-sulfonyl chloride has a molecular weight of 1261.89 g/mol, XLogP of 9.49, 19 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N,N-diethylethanamine;methane;2-methyloxolane;propane-1-sulfonyl chloride is sourced from PubChem (CID 167544994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).