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;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;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;1-(trifluoromethyl)cyclopentene;hydrochloride

C77H91B2Cl2F12N13O8 — CID 165053328

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;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;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;1-(trifluoromethyl)cyclopentene;hydrochloride

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;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;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;1-(trifluoromethyl)cyclopentene;hydrochloride (PubChem CID 165053328) has the molecular formula C77H91B2Cl2F12N13O8 and a molecular weight of 1647.16 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;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;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;1-(trifluoromethyl)cyclopentene;hydrochloride.

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;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;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;1-(trifluoromethyl)cyclopentene;hydrochloride
• PubChem CID: 165053328
• Molecular Formula: C77H91B2Cl2F12N13O8
• Molecular Weight: 1647.16 g/mol
• Exact Mass: 1645.65
• 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;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;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;1-(trifluoromethyl)cyclopentene;hydrochloride
• SMILES: Cc1cc(F)c(N)cc1B1OC(C)(C)C(C)(C)O1.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.Cl.Cn1cc(-c2cc(Cl)cc(N3CCOCC3)n2)cn1.FC(F)(F)C1=CCCC1
• InChI: InChI=1S/C26H26F4N6O2.C19H23BF4N2O3.C13H19BFNO2.C13H15ClN4O.C6H7F3.ClH/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;1-8-6-10(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;7-6(8,9)5-3-1-2-4-5;/h3,9-14H,4-8,15H2,1-2H3,(H,33,37);6,8-9H,7,10H2,1-5H3,(H,25,27);6-7H,16H2,1-5H3;6-9H,2-5H2,1H3;3H,1-2,4H2;1H
• InChIKey: VNAPTJFKUGQDRJ-UHFFFAOYSA-N
• XLogP: 15.61
• TPSA: 213.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1647.16
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;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;1-(trifluoromethyl)cyclopentene;hydrochloride?

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;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;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;1-(trifluoromethyl)cyclopentene;hydrochloride (CID 165053328) 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;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;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;1-(trifluoromethyl)cyclopentene;hydrochloride.

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;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;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;1-(trifluoromethyl)cyclopentene;hydrochloride?

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;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;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;1-(trifluoromethyl)cyclopentene;hydrochloride is Cc1cc(F)c(N)cc1B1OC(C)(C)C(C)(C)O1.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.Cl.Cn1cc(-c2cc(Cl)cc(N3CCOCC3)n2)cn1.FC(F)(F)C1=CCCC1.

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;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;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;1-(trifluoromethyl)cyclopentene;hydrochloride?

The InChIKey is VNAPTJFKUGQDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F4N6O2.C19H23BF4N2O3.C13H19BFNO2.C13H15ClN4O.C6H7F3.ClH/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;1-8-6-10(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;7-6(8,9)5-3-1-2-4-5;/h3,9-14H,4-8,15H2,1-2H3,(H,33,37);6,8-9H,7,10H2,1-5H3,(H,25,27);6-7H,16H2,1-5H3;6-9H,2-5H2,1H3;3H,1-2,4H2;1H.

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;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;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;1-(trifluoromethyl)cyclopentene;hydrochloride?

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;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;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;1-(trifluoromethyl)cyclopentene;hydrochloride has a molecular weight of 1647.16 g/mol, XLogP of 15.61, 9 rotatable bonds, 3 hydrogen bond donors, and 17 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;2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;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;1-(trifluoromethyl)cyclopentene;hydrochloride is sourced from PubChem (CID 165053328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).