N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-methoxypropanimidate;hydrochloride

C72H90Cl4F3N19O9S — CID 167650956

About N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-methoxypropanimidate;hydrochloride

N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-methoxypropanimidate;hydrochloride (PubChem CID 167650956) has the molecular formula C72H90Cl4F3N19O9S and a molecular weight of 1596.51 g/mol. Its IUPAC name is N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-methoxypropanimidate;hydrochloride.

Molecular Properties

• Compound Name: N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-methoxypropanimidate;hydrochloride
• PubChem CID: 167650956
• Molecular Formula: C72H90Cl4F3N19O9S
• Molecular Weight: 1596.51 g/mol
• Exact Mass: 1593.56
• IUPAC Name: N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-methoxypropanimidate;hydrochloride
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N(N)CCN)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(CCOC)=N2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN=C(CCOC)N2)cc1.Cl.[H]/N=C(/CCOC)OCC
• InChI: InChI=1S/C24H26ClF3N6O4S.C23H27ClN6O2.C19H23ClN6O.C6H13NO2.ClH/c1-3-19-22(32-15-17(25)6-9-20(32)30-19)23(35)29-14-16-4-7-18(8-5-16)33-11-12-34(21(31-33)10-13-38-2)39(36,37)24(26,27)28;1-3-19-22(29-15-17(24)6-9-21(29)27-19)23(31)26-14-16-4-7-18(8-5-16)30-12-11-25-20(28-30)10-13-32-2;1-2-16-18(25-12-14(20)5-8-17(25)24-16)19(27)23-11-13-3-6-15(7-4-13)26(22)10-9-21;1-3-9-6(7)4-5-8-2;/h4-9,15H,3,10-14H2,1-2H3,(H,29,35);4-9,15H,3,10-14H2,1-2H3,(H,25,28)(H,26,31);3-8,12H,2,9-11,21-22H2,1H3,(H,23,27);7H,3-5H2,1-2H3;1H/b;;;7-6-
• InChIKey: WJUNIMHGINRLKY-SIAVDPHASA-N
• XLogP: 10.62
• TPSA: 335.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1596.51
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-methoxypropanimidate;hydrochloride?

The IUPAC name of N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-methoxypropanimidate;hydrochloride (CID 167650956) is N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-methoxypropanimidate;hydrochloride.

What is the SMILES notation for N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-methoxypropanimidate;hydrochloride?

The canonical SMILES for N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-methoxypropanimidate;hydrochloride is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N(N)CCN)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(CCOC)=N2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN=C(CCOC)N2)cc1.Cl.[H]/N=C(/CCOC)OCC.

What is the InChIKey of N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-methoxypropanimidate;hydrochloride?

The InChIKey is WJUNIMHGINRLKY-SIAVDPHASA-N. The full InChI is InChI=1S/C24H26ClF3N6O4S.C23H27ClN6O2.C19H23ClN6O.C6H13NO2.ClH/c1-3-19-22(32-15-17(25)6-9-20(32)30-19)23(35)29-14-16-4-7-18(8-5-16)33-11-12-34(21(31-33)10-13-38-2)39(36,37)24(26,27)28;1-3-19-22(29-15-17(24)6-9-21(29)27-19)23(31)26-14-16-4-7-18(8-5-16)30-12-11-25-20(28-30)10-13-32-2;1-2-16-18(25-12-14(20)5-8-17(25)24-16)19(27)23-11-13-3-6-15(7-4-13)26(22)10-9-21;1-3-9-6(7)4-5-8-2;/h4-9,15H,3,10-14H2,1-2H3,(H,29,35);4-9,15H,3,10-14H2,1-2H3,(H,25,28)(H,26,31);3-8,12H,2,9-11,21-22H2,1H3,(H,23,27);7H,3-5H2,1-2H3;1H/b;;;7-6-;.

What are the key properties of N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-methoxypropanimidate;hydrochloride?

N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-methoxypropanimidate;hydrochloride has a molecular weight of 1596.51 g/mol, XLogP of 10.62, 28 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 3-methoxypropanimidate;hydrochloride is sourced from PubChem (CID 167650956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).