5-chloro-2-(difluoromethyl)-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2,6-dimethylpyrimidin-4-amine;4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylaniline

C112H117Cl3F8N26O11S8 — CID 157061468

About 5-chloro-2-(difluoromethyl)-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2,6-dimethylpyrimidin-4-amine;4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylaniline

5-chloro-2-(difluoromethyl)-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2,6-dimethylpyrimidin-4-amine;4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylaniline (PubChem CID 157061468) has the molecular formula C112H117Cl3F8N26O11S8 and a molecular weight of 2518.22 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2,6-dimethylpyrimidin-4-amine;4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylaniline.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2,6-dimethylpyrimidin-4-amine;4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylaniline
• PubChem CID: 157061468
• Molecular Formula: C112H117Cl3F8N26O11S8
• Molecular Weight: 2518.22 g/mol
• Exact Mass: 2514.61
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2,6-dimethylpyrimidin-4-amine;4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylaniline
• SMILES: Cc1cc(Cc2cc(Nc3ccc(-c4nc(C)sc4C)cc3S(C)(=O)=O)c3c(n2)CC(C(F)F)=N3)nc(C)n1.Cc1cc(Cc2cc(Nc3ccc(-c4nc(C)sc4C)cc3S(C)(=O)=O)c3nc(C(F)F)n(C4CCCCO4)c3n2)nc(C)n1.Cc1cc(N)nc(C)n1.Cc1nc(-c2ccc(N)c(S(C)(=O)=O)c2)c(C)s1.Cc1nc(-c2ccc(Nc3cc(Cl)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)c(C)s1.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1
• InChI: InChI=1S/C31H33F2N7O3S2.C27H26F2N6O2S2.C24H24ClF2N5O3S2.C12H11Cl2F2N3O.C12H14N2O2S2.C6H9N3/c1-16-12-21(35-18(3)34-16)14-22-15-24(28-30(37-22)40(31(39-28)29(32)33)26-8-6-7-11-43-26)38-23-10-9-20(13-25(23)45(5,41)42)27-17(2)44-19(4)36-27;1-13-8-18(31-15(3)30-13)10-19-11-21(26-22(33-19)12-23(35-26)27(28)29)34-20-7-6-17(9-24(20)39(5,36)37)25-14(2)38-16(4)32-25;1-12-20(28-13(2)36-12)14-7-8-15(17(10-14)37(3,33)34)29-16-11-18(25)30-23-21(16)31-24(22(26)27)32(23)19-6-4-5-9-35-19;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-7-12(14-8(2)17-7)9-4-5-10(13)11(6-9)18(3,15)16;1-4-3-6(7)9-5(2)8-4/h9-10,12-13,15,26,29H,6-8,11,14H2,1-5H3,(H,37,38);6-9,11,27H,10,12H2,1-5H3,(H,33,34);7-8,10-11,19,22H,4-6,9H2,1-3H3,(H,29,30);5,8,10H,1-4H2;4-6H,13H2,1-3H3;3H,1-2H3,(H2,7,8,9)
• InChIKey: ABJNWJSGILRRBT-UHFFFAOYSA-N
• XLogP: 26.89
• TPSA: 498.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 25
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2518.22
LogP ≤ 5	26.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2,6-dimethylpyrimidin-4-amine;4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylaniline?

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2,6-dimethylpyrimidin-4-amine;4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylaniline (CID 157061468) is 5-chloro-2-(difluoromethyl)-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2,6-dimethylpyrimidin-4-amine;4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylaniline.

What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2,6-dimethylpyrimidin-4-amine;4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylaniline?

The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2,6-dimethylpyrimidin-4-amine;4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylaniline is Cc1cc(Cc2cc(Nc3ccc(-c4nc(C)sc4C)cc3S(C)(=O)=O)c3c(n2)CC(C(F)F)=N3)nc(C)n1.Cc1cc(Cc2cc(Nc3ccc(-c4nc(C)sc4C)cc3S(C)(=O)=O)c3nc(C(F)F)n(C4CCCCO4)c3n2)nc(C)n1.Cc1cc(N)nc(C)n1.Cc1nc(-c2ccc(N)c(S(C)(=O)=O)c2)c(C)s1.Cc1nc(-c2ccc(Nc3cc(Cl)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)c(C)s1.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.

What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2,6-dimethylpyrimidin-4-amine;4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylaniline?

The InChIKey is ABJNWJSGILRRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F2N7O3S2.C27H26F2N6O2S2.C24H24ClF2N5O3S2.C12H11Cl2F2N3O.C12H14N2O2S2.C6H9N3/c1-16-12-21(35-18(3)34-16)14-22-15-24(28-30(37-22)40(31(39-28)29(32)33)26-8-6-7-11-43-26)38-23-10-9-20(13-25(23)45(5,41)42)27-17(2)44-19(4)36-27;1-13-8-18(31-15(3)30-13)10-19-11-21(26-22(33-19)12-23(35-26)27(28)29)34-20-7-6-17(9-24(20)39(5,36)37)25-14(2)38-16(4)32-25;1-12-20(28-13(2)36-12)14-7-8-15(17(10-14)37(3,33)34)29-16-11-18(25)30-23-21(16)31-24(22(26)27)32(23)19-6-4-5-9-35-19;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-7-12(14-8(2)17-7)9-4-5-10(13)11(6-9)18(3,15)16;1-4-3-6(7)9-5(2)8-4/h9-10,12-13,15,26,29H,6-8,11,14H2,1-5H3,(H,37,38);6-9,11,27H,10,12H2,1-5H3,(H,33,34);7-8,10-11,19,22H,4-6,9H2,1-3H3,(H,29,30);5,8,10H,1-4H2;4-6H,13H2,1-3H3;3H,1-2H3,(H2,7,8,9).

What are the key properties of 5-chloro-2-(difluoromethyl)-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2,6-dimethylpyrimidin-4-amine;4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylaniline?

5-chloro-2-(difluoromethyl)-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2,6-dimethylpyrimidin-4-amine;4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylaniline has a molecular weight of 2518.22 g/mol, XLogP of 26.89, 25 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(difluoromethyl)-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2,6-dimethylpyrimidin-4-amine;4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylaniline is sourced from PubChem (CID 157061468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).