6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C77H61ClF11N29O3 — CID 158159197

About 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 158159197) has the molecular formula C77H61ClF11N29O3 and a molecular weight of 1684.97 g/mol. Its IUPAC name is 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 158159197
• Molecular Formula: C77H61ClF11N29O3
• Molecular Weight: 1684.97 g/mol
• Exact Mass: 1683.50
• IUPAC Name: 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
• SMILES: Cc1nc2ncc(Cl)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)c(F)c2)n1.Nc1nc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C3CC3)nc3ccccc32)n1.Nc1nc(Nc2ccc(OC(F)F)c(F)c2)nc(-n2c(C3CC3)nc3ccccc32)n1.Nc1nc(Nc2ccc(OC(F)F)cc2)nc(-n2c(C3CC3)nc3ccccc32)n1
• InChI: InChI=1S/C20H16F3N7O.C20H16F3N7.C20H17F2N7O.C17H12ClF3N8O/c21-12-9-11(7-8-15(12)31-17(22)23)25-19-27-18(24)28-20(29-19)30-14-4-2-1-3-13(14)26-16(30)10-5-6-10;21-20(22,23)12-7-9-13(10-8-12)25-18-27-17(24)28-19(29-18)30-15-4-2-1-3-14(15)26-16(30)11-5-6-11;21-17(22)30-13-9-7-12(8-10-13)24-19-26-18(23)27-20(28-19)29-15-4-2-1-3-14(15)25-16(29)11-5-6-11;1-7-24-13-11(4-8(18)6-23-13)29(7)17-27-15(22)26-16(28-17)25-9-2-3-12(10(19)5-9)30-14(20)21/h1-4,7-10,17H,5-6H2,(H3,24,25,27,28,29);1-4,7-11H,5-6H2,(H3,24,25,27,28,29);1-4,7-11,17H,5-6H2,(H3,23,24,26,27,28);2-6,14H,1H3,(H3,22,25,26,27,28)
• InChIKey: FWBGJHFGABGGMX-UHFFFAOYSA-N
• XLogP: 16.24
• TPSA: 418.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1684.97
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 158159197) is 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is Cc1nc2ncc(Cl)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)c(F)c2)n1.Nc1nc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C3CC3)nc3ccccc32)n1.Nc1nc(Nc2ccc(OC(F)F)c(F)c2)nc(-n2c(C3CC3)nc3ccccc32)n1.Nc1nc(Nc2ccc(OC(F)F)cc2)nc(-n2c(C3CC3)nc3ccccc32)n1.

What is the InChIKey of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is FWBGJHFGABGGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N7O.C20H16F3N7.C20H17F2N7O.C17H12ClF3N8O/c21-12-9-11(7-8-15(12)31-17(22)23)25-19-27-18(24)28-20(29-19)30-14-4-2-1-3-13(14)26-16(30)10-5-6-10;21-20(22,23)12-7-9-13(10-8-12)25-18-27-17(24)28-19(29-18)30-15-4-2-1-3-14(15)26-16(30)11-5-6-11;21-17(22)30-13-9-7-12(8-10-13)24-19-26-18(23)27-20(28-19)29-15-4-2-1-3-14(15)25-16(29)11-5-6-11;1-7-24-13-11(4-8(18)6-23-13)29(7)17-27-15(22)26-16(28-17)25-9-2-3-12(10(19)5-9)30-14(20)21/h1-4,7-10,17H,5-6H2,(H3,24,25,27,28,29);1-4,7-11H,5-6H2,(H3,24,25,27,28,29);1-4,7-11,17H,5-6H2,(H3,23,24,26,27,28);2-6,14H,1H3,(H3,22,25,26,27,28).

What are the key properties of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1684.97 g/mol, XLogP of 16.24, 21 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158159197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).