3-[4-[amino(2-aminoethyl)amino]phenyl]-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(3-methoxy-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;tetramethoxymethane

C70H83Cl3F3N15O11S — CID 167641007

About 3-[4-[amino(2-aminoethyl)amino]phenyl]-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(3-methoxy-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;tetramethoxymethane

3-[4-[amino(2-aminoethyl)amino]phenyl]-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(3-methoxy-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;tetramethoxymethane (PubChem CID 167641007) has the molecular formula C70H83Cl3F3N15O11S and a molecular weight of 1505.95 g/mol. Its IUPAC name is 3-[4-[amino(2-aminoethyl)amino]phenyl]-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(3-methoxy-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;tetramethoxymethane.

Molecular Properties

• Compound Name: 3-[4-[amino(2-aminoethyl)amino]phenyl]-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(3-methoxy-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;tetramethoxymethane
• PubChem CID: 167641007
• Molecular Formula: C70H83Cl3F3N15O11S
• Molecular Weight: 1505.95 g/mol
• Exact Mass: 1503.51
• IUPAC Name: 3-[4-[amino(2-aminoethyl)amino]phenyl]-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(3-methoxy-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;tetramethoxymethane
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N(N)CCN)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCN=C(OC)N2)cc1.COC(OC)(OC)OC
• InChI: InChI=1S/C23H23ClF3N5O4S.C22H24ClN5O2.C20H24ClN5O.C5H12O4/c1-3-18-21(30-14-16(24)7-11-20(30)28-18)19(33)10-6-15-4-8-17(9-5-15)31-12-13-32(22(29-31)36-2)37(34,35)23(25,26)27;1-3-18-21(27-14-16(23)7-11-20(27)25-18)19(29)10-6-15-4-8-17(9-5-15)28-13-12-24-22(26-28)30-2;1-2-17-20(25-13-15(21)6-10-19(25)24-17)18(27)9-5-14-3-7-16(8-4-14)26(23)12-11-22;1-6-5(7-2,8-3)9-4/h4-5,7-9,11,14H,3,6,10,12-13H2,1-2H3;4-5,7-9,11,14H,3,6,10,12-13H2,1-2H3,(H,24,26);3-4,6-8,10,13H,2,5,9,11-12,22-23H2,1H3;1-4H3
• InChIKey: PDTMVIBSWSCAKO-UHFFFAOYSA-N
• XLogP: 11.13
• TPSA: 294.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1505.95
LogP ≤ 5	11.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

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 3-[4-[amino(2-aminoethyl)amino]phenyl]-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(3-methoxy-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;tetramethoxymethane?

The IUPAC name of 3-[4-[amino(2-aminoethyl)amino]phenyl]-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(3-methoxy-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;tetramethoxymethane (CID 167641007) is 3-[4-[amino(2-aminoethyl)amino]phenyl]-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(3-methoxy-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;tetramethoxymethane.

What is the SMILES notation for 3-[4-[amino(2-aminoethyl)amino]phenyl]-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(3-methoxy-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;tetramethoxymethane?

The canonical SMILES for 3-[4-[amino(2-aminoethyl)amino]phenyl]-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(3-methoxy-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;tetramethoxymethane is CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N(N)CCN)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCN=C(OC)N2)cc1.COC(OC)(OC)OC.

What is the InChIKey of 3-[4-[amino(2-aminoethyl)amino]phenyl]-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(3-methoxy-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;tetramethoxymethane?

The InChIKey is PDTMVIBSWSCAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N5O4S.C22H24ClN5O2.C20H24ClN5O.C5H12O4/c1-3-18-21(30-14-16(24)7-11-20(30)28-18)19(33)10-6-15-4-8-17(9-5-15)31-12-13-32(22(29-31)36-2)37(34,35)23(25,26)27;1-3-18-21(27-14-16(23)7-11-20(27)25-18)19(29)10-6-15-4-8-17(9-5-15)28-13-12-24-22(26-28)30-2;1-2-17-20(25-13-15(21)6-10-19(25)24-17)18(27)9-5-14-3-7-16(8-4-14)26(23)12-11-22;1-6-5(7-2,8-3)9-4/h4-5,7-9,11,14H,3,6,10,12-13H2,1-2H3;4-5,7-9,11,14H,3,6,10,12-13H2,1-2H3,(H,24,26);3-4,6-8,10,13H,2,5,9,11-12,22-23H2,1H3;1-4H3.

What are the key properties of 3-[4-[amino(2-aminoethyl)amino]phenyl]-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(3-methoxy-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;tetramethoxymethane?

3-[4-[amino(2-aminoethyl)amino]phenyl]-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(3-methoxy-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;tetramethoxymethane has a molecular weight of 1505.95 g/mol, XLogP of 11.13, 25 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[amino(2-aminoethyl)amino]phenyl]-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(3-methoxy-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;tetramethoxymethane is sourced from PubChem (CID 167641007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).