4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C46H56BClF2N10O4 — CID 164952373

About 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (PubChem CID 164952373) has the molecular formula C46H56BClF2N10O4 and a molecular weight of 897.28 g/mol. Its IUPAC name is 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

Molecular Properties

• Compound Name: 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• PubChem CID: 164952373
• Molecular Formula: C46H56BClF2N10O4
• Molecular Weight: 897.28 g/mol
• Exact Mass: 896.42
• IUPAC Name: 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• SMILES: Cc1cc(F)c(N)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1.Cc1cc(F)c(N)cc1B1OC(C)(C)C(C)(C)O1.Cn1cc(-c2cc(Cl)cc(N3CCOCC3)n2)cn1
• InChI: InChI=1S/C20H22FN5O.C13H19BFNO2.C13H15ClN4O/c1-13-7-17(21)18(22)10-16(13)14-8-19(15-11-23-25(2)12-15)24-20(9-14)26-3-5-27-6-4-26;1-8-6-10(15)11(16)7-9(8)14-17-12(2,3)13(4,5)18-14;1-17-9-10(8-15-17)12-6-11(14)7-13(16-12)18-2-4-19-5-3-18/h7-12H,3-6,22H2,1-2H3;6-7H,16H2,1-5H3;6-9H,2-5H2,1H3
• InChIKey: ASDVBBFNTANFRQ-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 156.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	897.28
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The IUPAC name of 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CID 164952373) is 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

What is the SMILES notation for 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The canonical SMILES for 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is Cc1cc(F)c(N)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1.Cc1cc(F)c(N)cc1B1OC(C)(C)C(C)(C)O1.Cn1cc(-c2cc(Cl)cc(N3CCOCC3)n2)cn1.

What is the InChIKey of 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The InChIKey is ASDVBBFNTANFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O.C13H19BFNO2.C13H15ClN4O/c1-13-7-17(21)18(22)10-16(13)14-8-19(15-11-23-25(2)12-15)24-20(9-14)26-3-5-27-6-4-26;1-8-6-10(15)11(16)7-9(8)14-17-12(2,3)13(4,5)18-14;1-17-9-10(8-15-17)12-6-11(14)7-13(16-12)18-2-4-19-5-3-18/h7-12H,3-6,22H2,1-2H3;6-7H,16H2,1-5H3;6-9H,2-5H2,1H3.

What are the key properties of 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline has a molecular weight of 897.28 g/mol, XLogP of 7.00, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is sourced from PubChem (CID 164952373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).