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-ethyl-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-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1,1,1-trimethoxypropane

C73H89Cl3F3N15O8S — CID 167644513

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-ethyl-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-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1,1,1-trimethoxypropane

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-ethyl-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-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1,1,1-trimethoxypropane (PubChem CID 167644513) has the molecular formula C73H89Cl3F3N15O8S and a molecular weight of 1500.03 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-ethyl-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-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1,1,1-trimethoxypropane.

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-ethyl-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-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1,1,1-trimethoxypropane
• PubChem CID: 167644513
• Molecular Formula: C73H89Cl3F3N15O8S
• Molecular Weight: 1500.03 g/mol
• Exact Mass: 1497.58
• 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-ethyl-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-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1,1,1-trimethoxypropane
• SMILES: CCC(OC)(OC)OC.CCC1=NCCN(c2ccc(CCC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)N1.CCC1=NN(c2ccc(CCC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)CCN1S(=O)(=O)C(F)(F)F.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N(N)CCN)cc1
• InChI: InChI=1S/C24H25ClF3N5O3S.C23H26ClN5O.C20H24ClN5O.C6H14O3/c1-3-19-23(31-15-17(25)8-12-22(31)29-19)20(34)11-7-16-5-9-18(10-6-16)32-13-14-33(21(4-2)30-32)37(35,36)24(26,27)28;1-3-19-23(28-15-17(24)8-12-22(28)26-19)20(30)11-7-16-5-9-18(10-6-16)29-14-13-25-21(4-2)27-29;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;1-5-6(7-2,8-3)9-4/h5-6,8-10,12,15H,3-4,7,11,13-14H2,1-2H3;5-6,8-10,12,15H,3-4,7,11,13-14H2,1-2H3,(H,25,27);3-4,6-8,10,13H,2,5,9,11-12,22-23H2,1H3;5H2,1-4H3
• InChIKey: PQTPHBDSQQKZQR-UHFFFAOYSA-N
• XLogP: 13.55
• TPSA: 266.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1500.03
LogP ≤ 5	13.55
H-Bond Donors ≤ 5	3
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 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-ethyl-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-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1,1,1-trimethoxypropane?

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-ethyl-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-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1,1,1-trimethoxypropane (CID 167644513) 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-ethyl-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-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1,1,1-trimethoxypropane.

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-ethyl-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-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1,1,1-trimethoxypropane?

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-ethyl-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-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1,1,1-trimethoxypropane is CCC(OC)(OC)OC.CCC1=NCCN(c2ccc(CCC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)N1.CCC1=NN(c2ccc(CCC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)CCN1S(=O)(=O)C(F)(F)F.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N(N)CCN)cc1.

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-ethyl-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-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1,1,1-trimethoxypropane?

The InChIKey is PQTPHBDSQQKZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N5O3S.C23H26ClN5O.C20H24ClN5O.C6H14O3/c1-3-19-23(31-15-17(25)8-12-22(31)29-19)20(34)11-7-16-5-9-18(10-6-16)32-13-14-33(21(4-2)30-32)37(35,36)24(26,27)28;1-3-19-23(28-15-17(24)8-12-22(28)26-19)20(30)11-7-16-5-9-18(10-6-16)29-14-13-25-21(4-2)27-29;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;1-5-6(7-2,8-3)9-4/h5-6,8-10,12,15H,3-4,7,11,13-14H2,1-2H3;5-6,8-10,12,15H,3-4,7,11,13-14H2,1-2H3,(H,25,27);3-4,6-8,10,13H,2,5,9,11-12,22-23H2,1H3;5H2,1-4H3.

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-ethyl-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-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1,1,1-trimethoxypropane?

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-ethyl-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-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1,1,1-trimethoxypropane has a molecular weight of 1500.03 g/mol, XLogP of 13.55, 27 rotatable bonds, 3 hydrogen bond donors, and 22 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-ethyl-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-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1,1,1-trimethoxypropane is sourced from PubChem (CID 167644513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).