2-bromo-4,5-dimethyl-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyaniline;2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C124H137BBrCl3F8N22O13S5 — CID 162035610

About 2-bromo-4,5-dimethyl-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyaniline;2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

2-bromo-4,5-dimethyl-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyaniline;2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (PubChem CID 162035610) has the molecular formula C124H137BBrCl3F8N22O13S5 and a molecular weight of 2652.99 g/mol. Its IUPAC name is 2-bromo-4,5-dimethyl-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyaniline;2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

Molecular Properties

• Compound Name: 2-bromo-4,5-dimethyl-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyaniline;2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• PubChem CID: 162035610
• Molecular Formula: C124H137BBrCl3F8N22O13S5
• Molecular Weight: 2652.99 g/mol
• Exact Mass: 2648.76
• IUPAC Name: 2-bromo-4,5-dimethyl-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyaniline;2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• SMILES: COc1cc(-c2nc(C)c(C)s2)ccc1N.COc1cc(-c2nc(C)c(C)s2)ccc1Nc1cc(CC(=O)C2CC2)nc2c1N=C(C(F)F)C2.COc1cc(-c2nc(C)c(C)s2)ccc1Nc1cc(CC(=O)C2CC2)nc2c1nc(C(F)F)n2C1CCCCO1.COc1cc(-c2nc(C)c(C)s2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1N.Cc1nc(Br)sc1C.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1
• InChI: InChI=1S/C29H31F2N5O3S.C25H24F2N4O2S.C24H24ClF2N5O2S.C13H20BNO3.C12H11Cl2F2N3O.C12H14N2OS.C5H6BrNS.C4H7NO/c1-15-16(2)40-29(32-15)18-9-10-20(23(12-18)38-3)34-21-13-19(14-22(37)17-7-8-17)33-27-25(21)35-28(26(30)31)36(27)24-6-4-5-11-39-24;1-12-13(2)34-25(28-12)15-6-7-17(22(8-15)33-3)30-18-9-16(10-21(32)14-4-5-14)29-19-11-20(24(26)27)31-23(18)19;1-12-13(2)35-24(28-12)14-7-8-15(17(10-14)33-3)29-16-11-18(25)30-22-20(16)31-23(21(26)27)32(22)19-6-4-5-9-34-19;1-12(2)13(3,4)18-14(17-12)9-6-7-10(15)11(8-9)16-5;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-7-8(2)16-12(14-7)9-4-5-10(13)11(6-9)15-3;1-3-4(2)8-5(6)7-3;5-4(6)3-1-2-3/h9-10,12-13,17,24,26H,4-8,11,14H2,1-3H3,(H,33,34);6-9,14,24H,4-5,10-11H2,1-3H3,(H,29,30);7-8,10-11,19,21H,4-6,9H2,1-3H3,(H,29,30);6-8H,15H2,1-5H3;5,8,10H,1-4H2;4-6H,13H2,1-3H3;1-2H3;3H,1-2H2,(H2,5,6)
• InChIKey: YWPIYLGWDRPLQN-UHFFFAOYSA-N
• XLogP: 31.66
• TPSA: 439.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 30
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2652.99
LogP ≤ 5	31.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

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 2-bromo-4,5-dimethyl-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyaniline;2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The IUPAC name of 2-bromo-4,5-dimethyl-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyaniline;2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CID 162035610) is 2-bromo-4,5-dimethyl-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyaniline;2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

What is the SMILES notation for 2-bromo-4,5-dimethyl-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyaniline;2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The canonical SMILES for 2-bromo-4,5-dimethyl-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyaniline;2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is COc1cc(-c2nc(C)c(C)s2)ccc1N.COc1cc(-c2nc(C)c(C)s2)ccc1Nc1cc(CC(=O)C2CC2)nc2c1N=C(C(F)F)C2.COc1cc(-c2nc(C)c(C)s2)ccc1Nc1cc(CC(=O)C2CC2)nc2c1nc(C(F)F)n2C1CCCCO1.COc1cc(-c2nc(C)c(C)s2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1N.Cc1nc(Br)sc1C.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.

What is the InChIKey of 2-bromo-4,5-dimethyl-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyaniline;2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The InChIKey is YWPIYLGWDRPLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2N5O3S.C25H24F2N4O2S.C24H24ClF2N5O2S.C13H20BNO3.C12H11Cl2F2N3O.C12H14N2OS.C5H6BrNS.C4H7NO/c1-15-16(2)40-29(32-15)18-9-10-20(23(12-18)38-3)34-21-13-19(14-22(37)17-7-8-17)33-27-25(21)35-28(26(30)31)36(27)24-6-4-5-11-39-24;1-12-13(2)34-25(28-12)15-6-7-17(22(8-15)33-3)30-18-9-16(10-21(32)14-4-5-14)29-19-11-20(24(26)27)31-23(18)19;1-12-13(2)35-24(28-12)14-7-8-15(17(10-14)33-3)29-16-11-18(25)30-22-20(16)31-23(21(26)27)32(22)19-6-4-5-9-34-19;1-12(2)13(3,4)18-14(17-12)9-6-7-10(15)11(8-9)16-5;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-7-8(2)16-12(14-7)9-4-5-10(13)11(6-9)15-3;1-3-4(2)8-5(6)7-3;5-4(6)3-1-2-3/h9-10,12-13,17,24,26H,4-8,11,14H2,1-3H3,(H,33,34);6-9,14,24H,4-5,10-11H2,1-3H3,(H,29,30);7-8,10-11,19,21H,4-6,9H2,1-3H3,(H,29,30);6-8H,15H2,1-5H3;5,8,10H,1-4H2;4-6H,13H2,1-3H3;1-2H3;3H,1-2H2,(H2,5,6).

What are the key properties of 2-bromo-4,5-dimethyl-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyaniline;2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

2-bromo-4,5-dimethyl-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyaniline;2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline has a molecular weight of 2652.99 g/mol, XLogP of 31.66, 30 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4,5-dimethyl-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyaniline;2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is sourced from PubChem (CID 162035610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).