4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide

C58H64BClF8N12O6 — CID 165095795

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

4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide (PubChem CID 165095795) has the molecular formula C58H64BClF8N12O6 and a molecular weight of 1223.48 g/mol. Its IUPAC name is 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

• Compound Name: 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide
• PubChem CID: 165095795
• Molecular Formula: C58H64BClF8N12O6
• Molecular Weight: 1223.48 g/mol
• Exact Mass: 1222.47
• IUPAC Name: 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide
• SMILES: Cc1cc(F)c(NC(=O)N2CC=C(C(F)(F)F)C2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1.Cc1cc(F)c(NC(=O)N2CC=C(C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cn1cc(-c2cc(Cl)cc(N3CCOCC3)n2)cn1
• InChI: InChI=1S/C26H26F4N6O2.C19H23BF4N2O3.C13H15ClN4O/c1-16-9-21(27)23(33-25(37)36-4-3-19(15-36)26(28,29)30)12-20(16)17-10-22(18-13-31-34(2)14-18)32-24(11-17)35-5-7-38-8-6-35;1-11-8-14(21)15(9-13(11)20-28-17(2,3)18(4,5)29-20)25-16(27)26-7-6-12(10-26)19(22,23)24;1-17-9-10(8-15-17)12-6-11(14)7-13(16-12)18-2-4-19-5-3-18/h3,9-14H,4-8,15H2,1-2H3,(H,33,37);6,8-9H,7,10H2,1-5H3,(H,25,27);6-9H,2-5H2,1H3
• InChIKey: XMDDKNLCPFYMTJ-UHFFFAOYSA-N
• XLogP: 10.51
• TPSA: 169.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1223.48
LogP ≤ 5	10.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide (CID 165095795) is 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide.

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

The canonical SMILES for 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide is Cc1cc(F)c(NC(=O)N2CC=C(C(F)(F)F)C2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1.Cc1cc(F)c(NC(=O)N2CC=C(C(F)(F)F)C2)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;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide?

The InChIKey is XMDDKNLCPFYMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F4N6O2.C19H23BF4N2O3.C13H15ClN4O/c1-16-9-21(27)23(33-25(37)36-4-3-19(15-36)26(28,29)30)12-20(16)17-10-22(18-13-31-34(2)14-18)32-24(11-17)35-5-7-38-8-6-35;1-11-8-14(21)15(9-13(11)20-28-17(2,3)18(4,5)29-20)25-16(27)26-7-6-12(10-26)19(22,23)24;1-17-9-10(8-15-17)12-6-11(14)7-13(16-12)18-2-4-19-5-3-18/h3,9-14H,4-8,15H2,1-2H3,(H,33,37);6,8-9H,7,10H2,1-5H3,(H,25,27);6-9H,2-5H2,1H3.

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

4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 1223.48 g/mol, XLogP of 10.51, 8 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;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 165095795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).