N-[[4-[amino(2-aminoethyl)amino]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-2-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;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;ethane;methane;trimethoxymethane

C67H81Cl3F6N18O8S — CID 167591638

About N-[[4-[amino(2-aminoethyl)amino]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-2-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;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;ethane;methane;trimethoxymethane

N-[[4-[amino(2-aminoethyl)amino]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-2-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;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;ethane;methane;trimethoxymethane (PubChem CID 167591638) has the molecular formula C67H81Cl3F6N18O8S and a molecular weight of 1518.92 g/mol. Its IUPAC name is N-[[4-[amino(2-aminoethyl)amino]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-2-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;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;ethane;methane;trimethoxymethane.

Molecular Properties

• Compound Name: N-[[4-[amino(2-aminoethyl)amino]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-2-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;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;ethane;methane;trimethoxymethane
• PubChem CID: 167591638
• Molecular Formula: C67H81Cl3F6N18O8S
• Molecular Weight: 1518.92 g/mol
• Exact Mass: 1516.52
• IUPAC Name: N-[[4-[amino(2-aminoethyl)amino]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-2-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;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;ethane;methane;trimethoxymethane
• SMILES: C.CC.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N(N)CCN)cc1F.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1F.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN=CN2)cc1F.COC(OC)OC
• InChI: InChI=1S/C21H19ClF4N6O3S.C20H20ClFN6O.C19H22ClFN6O.C4H10O3.C2H6.CH4/c1-2-17-19(31-11-14(22)4-6-18(31)29-17)20(33)27-10-13-3-5-15(9-16(13)23)32-8-7-30(12-28-32)36(34,35)21(24,25)26;1-2-17-19(27-11-14(21)4-6-18(27)26-17)20(29)24-10-13-3-5-15(9-16(13)22)28-8-7-23-12-25-28;1-2-16-18(26-11-13(20)4-6-17(26)25-16)19(28)24-10-12-3-5-14(9-15(12)21)27(23)8-7-22;1-5-4(6-2)7-3;1-2;/h3-6,9,11-12H,2,7-8,10H2,1H3,(H,27,33);3-6,9,11-12H,2,7-8,10H2,1H3,(H,23,25)(H,24,29);3-6,9,11H,2,7-8,10,22-23H2,1H3,(H,24,28);4H,1-3H3;1-2H3;1H4
• InChIKey: INBQSSWKFUJLNG-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 302.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1518.92
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-2-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;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;ethane;methane;trimethoxymethane?

The IUPAC name of N-[[4-[amino(2-aminoethyl)amino]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-2-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;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;ethane;methane;trimethoxymethane (CID 167591638) is N-[[4-[amino(2-aminoethyl)amino]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-2-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;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;ethane;methane;trimethoxymethane.

What is the SMILES notation for N-[[4-[amino(2-aminoethyl)amino]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-2-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;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;ethane;methane;trimethoxymethane?

The canonical SMILES for N-[[4-[amino(2-aminoethyl)amino]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-2-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;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;ethane;methane;trimethoxymethane is C.CC.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N(N)CCN)cc1F.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1F.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN=CN2)cc1F.COC(OC)OC.

What is the InChIKey of N-[[4-[amino(2-aminoethyl)amino]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-2-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;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;ethane;methane;trimethoxymethane?

The InChIKey is INBQSSWKFUJLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF4N6O3S.C20H20ClFN6O.C19H22ClFN6O.C4H10O3.C2H6.CH4/c1-2-17-19(31-11-14(22)4-6-18(31)29-17)20(33)27-10-13-3-5-15(9-16(13)23)32-8-7-30(12-28-32)36(34,35)21(24,25)26;1-2-17-19(27-11-14(21)4-6-18(27)26-17)20(29)24-10-13-3-5-15(9-16(13)22)28-8-7-23-12-25-28;1-2-16-18(26-11-13(20)4-6-17(26)25-16)19(28)24-10-12-3-5-14(9-15(12)21)27(23)8-7-22;1-5-4(6-2)7-3;1-2;/h3-6,9,11-12H,2,7-8,10H2,1H3,(H,27,33);3-6,9,11-12H,2,7-8,10H2,1H3,(H,23,25)(H,24,29);3-6,9,11H,2,7-8,10,22-23H2,1H3,(H,24,28);4H,1-3H3;1-2H3;1H4.

What are the key properties of N-[[4-[amino(2-aminoethyl)amino]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-2-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;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;ethane;methane;trimethoxymethane?

N-[[4-[amino(2-aminoethyl)amino]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-2-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;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;ethane;methane;trimethoxymethane has a molecular weight of 1518.92 g/mol, XLogP of 10.64, 21 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[amino(2-aminoethyl)amino]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-2-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;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;ethane;methane;trimethoxymethane is sourced from PubChem (CID 167591638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).