4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-methoxy-N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-methoxy-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3R)-3-(trifluoromethoxy)pyrrolidine;hydrochloride

C76H105B2Cl2F3N14O11 — CID 165013249

About 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-methoxy-N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-methoxy-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3R)-3-(trifluoromethoxy)pyrrolidine;hydrochloride

4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-methoxy-N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-methoxy-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3R)-3-(trifluoromethoxy)pyrrolidine;hydrochloride (PubChem CID 165013249) has the molecular formula C76H105B2Cl2F3N14O11 and a molecular weight of 1540.29 g/mol. Its IUPAC name is 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-methoxy-N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-methoxy-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3R)-3-(trifluoromethoxy)pyrrolidine;hydrochloride.

Molecular Properties

• Compound Name: 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-methoxy-N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-methoxy-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3R)-3-(trifluoromethoxy)pyrrolidine;hydrochloride
• PubChem CID: 165013249
• Molecular Formula: C76H105B2Cl2F3N14O11
• Molecular Weight: 1540.29 g/mol
• Exact Mass: 1538.76
• IUPAC Name: 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-methoxy-N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-methoxy-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3R)-3-(trifluoromethoxy)pyrrolidine;hydrochloride
• SMILES: CO[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cnn(C)c4)nc(N4CCOCC4)c3)c2)C1.CO[C@@H]1CCN(C(=O)Nc2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1.Cc1ccc(N)cc1B1OC(C)(C)C(C)(C)O1.Cl.Cn1cc(-c2cc(Cl)cc(N3CCOCC3)n2)cn1.FC(F)(F)O[C@@H]1CCNC1
• InChI: InChI=1S/C26H32N6O3.C19H29BN2O4.C13H20BNO2.C13H15ClN4O.C5H8F3NO.ClH/c1-18-4-5-21(28-26(33)32-7-6-22(17-32)34-3)14-23(18)19-12-24(20-15-27-30(2)16-20)29-25(13-19)31-8-10-35-11-9-31;1-13-7-8-14(21-17(23)22-10-9-15(12-22)24-6)11-16(13)20-25-18(2,3)19(4,5)26-20;1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14;1-17-9-10(8-15-17)12-6-11(14)7-13(16-12)18-2-4-19-5-3-18;6-5(7,8)10-4-1-2-9-3-4;/h4-5,12-16,22H,6-11,17H2,1-3H3,(H,28,33);7-8,11,15H,9-10,12H2,1-6H3,(H,21,23);6-8H,15H2,1-5H3;6-9H,2-5H2,1H3;4,9H,1-3H2;1H/t22-;15-;;;4-;/m11..1./s1
• InChIKey: RVPUHXJKAXYQML-OATGLWJLSA-N
• XLogP: 11.25
• TPSA: 253.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1540.29
LogP ≤ 5	11.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

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;(3R)-3-methoxy-N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-methoxy-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3R)-3-(trifluoromethoxy)pyrrolidine;hydrochloride?

The IUPAC name of 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-methoxy-N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-methoxy-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3R)-3-(trifluoromethoxy)pyrrolidine;hydrochloride (CID 165013249) is 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-methoxy-N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-methoxy-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3R)-3-(trifluoromethoxy)pyrrolidine;hydrochloride.

What is the SMILES notation for 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-methoxy-N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-methoxy-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3R)-3-(trifluoromethoxy)pyrrolidine;hydrochloride?

The canonical SMILES for 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-methoxy-N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-methoxy-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3R)-3-(trifluoromethoxy)pyrrolidine;hydrochloride is CO[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cnn(C)c4)nc(N4CCOCC4)c3)c2)C1.CO[C@@H]1CCN(C(=O)Nc2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1.Cc1ccc(N)cc1B1OC(C)(C)C(C)(C)O1.Cl.Cn1cc(-c2cc(Cl)cc(N3CCOCC3)n2)cn1.FC(F)(F)O[C@@H]1CCNC1.

What is the InChIKey of 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-methoxy-N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-methoxy-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3R)-3-(trifluoromethoxy)pyrrolidine;hydrochloride?

The InChIKey is RVPUHXJKAXYQML-OATGLWJLSA-N. The full InChI is InChI=1S/C26H32N6O3.C19H29BN2O4.C13H20BNO2.C13H15ClN4O.C5H8F3NO.ClH/c1-18-4-5-21(28-26(33)32-7-6-22(17-32)34-3)14-23(18)19-12-24(20-15-27-30(2)16-20)29-25(13-19)31-8-10-35-11-9-31;1-13-7-8-14(21-17(23)22-10-9-15(12-22)24-6)11-16(13)20-25-18(2,3)19(4,5)26-20;1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14;1-17-9-10(8-15-17)12-6-11(14)7-13(16-12)18-2-4-19-5-3-18;6-5(7,8)10-4-1-2-9-3-4;/h4-5,12-16,22H,6-11,17H2,1-3H3,(H,28,33);7-8,11,15H,9-10,12H2,1-6H3,(H,21,23);6-8H,15H2,1-5H3;6-9H,2-5H2,1H3;4,9H,1-3H2;1H/t22-;15-;;;4-;/m11..1./s1.

What are the key properties of 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-methoxy-N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-methoxy-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3R)-3-(trifluoromethoxy)pyrrolidine;hydrochloride?

4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-methoxy-N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-methoxy-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3R)-3-(trifluoromethoxy)pyrrolidine;hydrochloride has a molecular weight of 1540.29 g/mol, XLogP of 11.25, 12 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;(3R)-3-methoxy-N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-methoxy-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3R)-3-(trifluoromethoxy)pyrrolidine;hydrochloride is sourced from PubChem (CID 165013249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).