5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-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-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline;3-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1,3,5-trimethylpyrazole

C125H140BCl3F13N27O13 — CID 159451597

About 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-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-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline;3-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1,3,5-trimethylpyrazole

5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-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-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline;3-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1,3,5-trimethylpyrazole (PubChem CID 159451597) has the molecular formula C125H140BCl3F13N27O13 and a molecular weight of 2592.82 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-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-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline;3-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1,3,5-trimethylpyrazole.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-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-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline;3-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1,3,5-trimethylpyrazole
• PubChem CID: 159451597
• Molecular Formula: C125H140BCl3F13N27O13
• Molecular Weight: 2592.82 g/mol
• Exact Mass: 2590.01
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-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-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline;3-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1,3,5-trimethylpyrazole
• SMILES: COc1c(N)ccc(-c2cc(C)n(C)n2)c1F.COc1c(N)ccc(B2OC(C)(C)C(C)(C)O2)c1F.COc1c(Nc2cc(CC(=O)C3CC3)nc3c2N=C(C(F)F)C3)ccc(-c2cc(C)n(C)n2)c1F.COc1c(Nc2cc(CC(=O)C3CC3)nc3c2nc(C(F)F)n3C2CCCCO2)ccc(-c2cc(C)n(C)n2)c1F.COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)ccc(-c2cc(C)n(C)n2)c1F.Cc1cc(C)n(C)n1.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1
• InChI: InChI=1S/C29H31F3N6O3.C25H24F3N5O2.C24H24ClF3N6O2.C13H19BFNO3.C12H11Cl2F2N3O.C12H14FN3O.C6H10N2.C4H7NO/c1-15-12-20(36-37(15)2)18-9-10-19(26(40-3)24(18)30)34-21-13-17(14-22(39)16-7-8-16)33-28-25(21)35-29(27(31)32)38(28)23-6-4-5-11-41-23;1-12-8-17(32-33(12)2)15-6-7-16(24(35-3)22(15)26)30-18-9-14(10-21(34)13-4-5-13)29-19-11-20(25(27)28)31-23(18)19;1-12-10-15(32-33(12)2)13-7-8-14(21(35-3)19(13)26)29-16-11-17(25)30-23-20(16)31-24(22(27)28)34(23)18-6-4-5-9-36-18;1-12(2)13(3,4)19-14(18-12)8-6-7-9(16)11(17-5)10(8)15;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-7-6-10(15-16(7)2)8-4-5-9(14)12(17-3)11(8)13;1-5-4-6(2)8(3)7-5;5-4(6)3-1-2-3/h9-10,12-13,16,23,27H,4-8,11,14H2,1-3H3,(H,33,34);6-9,13,25H,4-5,10-11H2,1-3H3,(H,29,30);7-8,10-11,18,22H,4-6,9H2,1-3H3,(H,29,30);6-7H,16H2,1-5H3;5,8,10H,1-4H2;4-6H,14H2,1-3H3;4H,1-3H3;3H,1-2H2,(H2,5,6)
• InChIKey: LTLHTWWYZUIOOO-UHFFFAOYSA-N
• XLogP: 26.74
• TPSA: 464.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 30
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2592.82
LogP ≤ 5	26.74
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 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-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-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline;3-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1,3,5-trimethylpyrazole?

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-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-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline;3-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1,3,5-trimethylpyrazole (CID 159451597) is 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-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-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline;3-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1,3,5-trimethylpyrazole.

What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-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-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline;3-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1,3,5-trimethylpyrazole?

The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-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-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline;3-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1,3,5-trimethylpyrazole is COc1c(N)ccc(-c2cc(C)n(C)n2)c1F.COc1c(N)ccc(B2OC(C)(C)C(C)(C)O2)c1F.COc1c(Nc2cc(CC(=O)C3CC3)nc3c2N=C(C(F)F)C3)ccc(-c2cc(C)n(C)n2)c1F.COc1c(Nc2cc(CC(=O)C3CC3)nc3c2nc(C(F)F)n3C2CCCCO2)ccc(-c2cc(C)n(C)n2)c1F.COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)ccc(-c2cc(C)n(C)n2)c1F.Cc1cc(C)n(C)n1.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.

What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-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-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline;3-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1,3,5-trimethylpyrazole?

The InChIKey is LTLHTWWYZUIOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N6O3.C25H24F3N5O2.C24H24ClF3N6O2.C13H19BFNO3.C12H11Cl2F2N3O.C12H14FN3O.C6H10N2.C4H7NO/c1-15-12-20(36-37(15)2)18-9-10-19(26(40-3)24(18)30)34-21-13-17(14-22(39)16-7-8-16)33-28-25(21)35-29(27(31)32)38(28)23-6-4-5-11-41-23;1-12-8-17(32-33(12)2)15-6-7-16(24(35-3)22(15)26)30-18-9-14(10-21(34)13-4-5-13)29-19-11-20(25(27)28)31-23(18)19;1-12-10-15(32-33(12)2)13-7-8-14(21(35-3)19(13)26)29-16-11-17(25)30-23-20(16)31-24(22(27)28)34(23)18-6-4-5-9-36-18;1-12(2)13(3,4)19-14(18-12)8-6-7-9(16)11(17-5)10(8)15;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-7-6-10(15-16(7)2)8-4-5-9(14)12(17-3)11(8)13;1-5-4-6(2)8(3)7-5;5-4(6)3-1-2-3/h9-10,12-13,16,23,27H,4-8,11,14H2,1-3H3,(H,33,34);6-9,13,25H,4-5,10-11H2,1-3H3,(H,29,30);7-8,10-11,18,22H,4-6,9H2,1-3H3,(H,29,30);6-7H,16H2,1-5H3;5,8,10H,1-4H2;4-6H,14H2,1-3H3;4H,1-3H3;3H,1-2H2,(H2,5,6).

What are the key properties of 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-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-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline;3-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1,3,5-trimethylpyrazole?

5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-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-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline;3-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1,3,5-trimethylpyrazole has a molecular weight of 2592.82 g/mol, XLogP of 26.74, 30 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-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-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline;3-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1,3,5-trimethylpyrazole is sourced from PubChem (CID 159451597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).