2-[[4-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;2-[[4-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C74H58BrCl2F13N32O2 — CID 160832895

About 2-[[4-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;2-[[4-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

2-[[4-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;2-[[4-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 160832895) has the molecular formula C74H58BrCl2F13N32O2 and a molecular weight of 1825.28 g/mol. Its IUPAC name is 2-[[4-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;2-[[4-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-[[4-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;2-[[4-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 160832895
• Molecular Formula: C74H58BrCl2F13N32O2
• Molecular Weight: 1825.28 g/mol
• Exact Mass: 1822.38
• IUPAC Name: 2-[[4-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;2-[[4-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
• SMILES: Cc1nc2ncc(Br)cc2n1-c1nc(NCCO)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncc(Cl)cc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncc(Cl)cc2n1-c1nc(NCCO)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1nc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C3CC3)nc3ncc(F)cc32)n1
• InChI: InChI=1S/C19H16BrF3N8O.C19H16ClF3N8O.C19H14F4N8.C17H12ClF3N8/c2*1-10-26-15-14(8-12(20)9-25-15)31(10)18-29-16(24-6-7-32)28-17(30-18)27-13-4-2-11(3-5-13)19(21,22)23;20-11-7-13-14(25-8-11)27-15(9-1-2-9)31(13)18-29-16(24)28-17(30-18)26-12-5-3-10(4-6-12)19(21,22)23;1-8-24-13-12(6-10(18)7-23-13)29(8)16-27-14(22)26-15(28-16)25-11-4-2-9(3-5-11)17(19,20)21/h2*2-5,8-9,32H,6-7H2,1H3,(H2,24,27,28,29,30);3-9H,1-2H2,(H3,24,26,28,29,30);2-7H,1H3,(H3,22,25,26,27,28)
• InChIKey: SHALPRLOZLAYOH-UHFFFAOYSA-N
• XLogP: 15.46
• TPSA: 442.20 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1825.28
LogP ≤ 5	15.46
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;2-[[4-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-[[4-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;2-[[4-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 160832895) is 2-[[4-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;2-[[4-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-[[4-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;2-[[4-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-[[4-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;2-[[4-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is Cc1nc2ncc(Br)cc2n1-c1nc(NCCO)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncc(Cl)cc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncc(Cl)cc2n1-c1nc(NCCO)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1nc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C3CC3)nc3ncc(F)cc32)n1.

What is the InChIKey of 2-[[4-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;2-[[4-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is SHALPRLOZLAYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF3N8O.C19H16ClF3N8O.C19H14F4N8.C17H12ClF3N8/c2*1-10-26-15-14(8-12(20)9-25-15)31(10)18-29-16(24-6-7-32)28-17(30-18)27-13-4-2-11(3-5-13)19(21,22)23;20-11-7-13-14(25-8-11)27-15(9-1-2-9)31(13)18-29-16(24)28-17(30-18)26-12-5-3-10(4-6-12)19(21,22)23;1-8-24-13-12(6-10(18)7-23-13)29(8)16-27-14(22)26-15(28-16)25-11-4-2-9(3-5-11)17(19,20)21/h2*2-5,8-9,32H,6-7H2,1H3,(H2,24,27,28,29,30);3-9H,1-2H2,(H3,24,26,28,29,30);2-7H,1H3,(H3,22,25,26,27,28).

What are the key properties of 2-[[4-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;2-[[4-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

2-[[4-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;2-[[4-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1825.28 g/mol, XLogP of 15.46, 19 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;2-[[4-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 160832895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).