3-bromo-1,4-dimethylpyrazole;5-chloro-2-(difluoromethyl)-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C124H142BBrCl3F8N27O18S5 — CID 157210619

About 3-bromo-1,4-dimethylpyrazole;5-chloro-2-(difluoromethyl)-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

3-bromo-1,4-dimethylpyrazole;5-chloro-2-(difluoromethyl)-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (PubChem CID 157210619) has the molecular formula C124H142BBrCl3F8N27O18S5 and a molecular weight of 2808.06 g/mol. Its IUPAC name is 3-bromo-1,4-dimethylpyrazole;5-chloro-2-(difluoromethyl)-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

Molecular Properties

• Compound Name: 3-bromo-1,4-dimethylpyrazole;5-chloro-2-(difluoromethyl)-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• PubChem CID: 157210619
• Molecular Formula: C124H142BBrCl3F8N27O18S5
• Molecular Weight: 2808.06 g/mol
• Exact Mass: 2803.78
• IUPAC Name: 3-bromo-1,4-dimethylpyrazole;5-chloro-2-(difluoromethyl)-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• SMILES: CC1(C)OB(c2ccc(N)c(S(C)(=O)=O)c2)OC1(C)C.Cc1cn(C)nc1-c1ccc(N)c(S(C)(=O)=O)c1.Cc1cn(C)nc1-c1ccc(Nc2cc(CC(=O)C3CC3)nc3c2N=C(C(F)F)C3)c(S(C)(=O)=O)c1.Cc1cn(C)nc1-c1ccc(Nc2cc(CC(=O)C3CC3)nc3c2nc(C(F)F)n3C2CCCCO2)c(S(C)(=O)=O)c1.Cc1cn(C)nc1-c1ccc(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)c(S(C)(=O)=O)c1.Cc1cn(C)nc1Br.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1
• InChI: InChI=1S/C29H32F2N6O4S.C25H25F2N5O3S.C24H25ClF2N6O3S.C13H20BNO4S.C12H11Cl2F2N3O.C12H15N3O2S.C5H7BrN2.C4H7NO/c1-16-15-36(2)35-25(16)18-9-10-20(23(12-18)42(3,39)40)33-21-13-19(14-22(38)17-7-8-17)32-28-26(21)34-29(27(30)31)37(28)24-6-4-5-11-41-24;1-13-12-32(2)31-23(13)15-6-7-17(22(8-15)36(3,34)35)29-18-9-16(10-21(33)14-4-5-14)28-19-11-20(25(26)27)30-24(18)19;1-13-12-32(2)31-20(13)14-7-8-15(17(10-14)37(3,34)35)28-16-11-18(25)29-23-21(16)30-24(22(26)27)33(23)19-6-4-5-9-36-19;1-12(2)13(3,4)19-14(18-12)9-6-7-10(15)11(8-9)20(5,16)17;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-8-7-15(2)14-12(8)9-4-5-10(13)11(6-9)18(3,16)17;1-4-3-8(2)7-5(4)6;5-4(6)3-1-2-3/h9-10,12-13,15,17,24,27H,4-8,11,14H2,1-3H3,(H,32,33);6-9,12,14,25H,4-5,10-11H2,1-3H3,(H,28,29);7-8,10-12,19,22H,4-6,9H2,1-3H3,(H,28,29);6-8H,15H2,1-5H3;5,8,10H,1-4H2;4-7H,13H2,1-3H3;3H,1-2H3;3H,1-2H2,(H2,5,6)
• InChIKey: ARVSTDDZXHCTHC-UHFFFAOYSA-N
• XLogP: 23.48
• TPSA: 588.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 44
• Rotatable Bonds: 30
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2808.06
LogP ≤ 5	23.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,4-dimethylpyrazole;5-chloro-2-(difluoromethyl)-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The IUPAC name of 3-bromo-1,4-dimethylpyrazole;5-chloro-2-(difluoromethyl)-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CID 157210619) is 3-bromo-1,4-dimethylpyrazole;5-chloro-2-(difluoromethyl)-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

What is the SMILES notation for 3-bromo-1,4-dimethylpyrazole;5-chloro-2-(difluoromethyl)-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The canonical SMILES for 3-bromo-1,4-dimethylpyrazole;5-chloro-2-(difluoromethyl)-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is CC1(C)OB(c2ccc(N)c(S(C)(=O)=O)c2)OC1(C)C.Cc1cn(C)nc1-c1ccc(N)c(S(C)(=O)=O)c1.Cc1cn(C)nc1-c1ccc(Nc2cc(CC(=O)C3CC3)nc3c2N=C(C(F)F)C3)c(S(C)(=O)=O)c1.Cc1cn(C)nc1-c1ccc(Nc2cc(CC(=O)C3CC3)nc3c2nc(C(F)F)n3C2CCCCO2)c(S(C)(=O)=O)c1.Cc1cn(C)nc1-c1ccc(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)c(S(C)(=O)=O)c1.Cc1cn(C)nc1Br.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.

What is the InChIKey of 3-bromo-1,4-dimethylpyrazole;5-chloro-2-(difluoromethyl)-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The InChIKey is ARVSTDDZXHCTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N6O4S.C25H25F2N5O3S.C24H25ClF2N6O3S.C13H20BNO4S.C12H11Cl2F2N3O.C12H15N3O2S.C5H7BrN2.C4H7NO/c1-16-15-36(2)35-25(16)18-9-10-20(23(12-18)42(3,39)40)33-21-13-19(14-22(38)17-7-8-17)32-28-26(21)34-29(27(30)31)37(28)24-6-4-5-11-41-24;1-13-12-32(2)31-23(13)15-6-7-17(22(8-15)36(3,34)35)29-18-9-16(10-21(33)14-4-5-14)28-19-11-20(25(26)27)30-24(18)19;1-13-12-32(2)31-20(13)14-7-8-15(17(10-14)37(3,34)35)28-16-11-18(25)29-23-21(16)30-24(22(26)27)33(23)19-6-4-5-9-36-19;1-12(2)13(3,4)19-14(18-12)9-6-7-10(15)11(8-9)20(5,16)17;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-8-7-15(2)14-12(8)9-4-5-10(13)11(6-9)18(3,16)17;1-4-3-8(2)7-5(4)6;5-4(6)3-1-2-3/h9-10,12-13,15,17,24,27H,4-8,11,14H2,1-3H3,(H,32,33);6-9,12,14,25H,4-5,10-11H2,1-3H3,(H,28,29);7-8,10-12,19,22H,4-6,9H2,1-3H3,(H,28,29);6-8H,15H2,1-5H3;5,8,10H,1-4H2;4-7H,13H2,1-3H3;3H,1-2H3;3H,1-2H2,(H2,5,6).

What are the key properties of 3-bromo-1,4-dimethylpyrazole;5-chloro-2-(difluoromethyl)-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

3-bromo-1,4-dimethylpyrazole;5-chloro-2-(difluoromethyl)-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline has a molecular weight of 2808.06 g/mol, XLogP of 23.48, 30 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1,4-dimethylpyrazole;5-chloro-2-(difluoromethyl)-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylaniline;2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is sourced from PubChem (CID 157210619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).