4-(4-chloro-6-cyclopropyl-2-pyridinyl)morpholine;cyclopropylboronic acid;(3R)-N-[5-(2-cyclopropyl-6-morpholin-4-yl-4-pyridinyl)-2-fluoro-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C70H92B2Cl3F5N10O9 — CID 164948662

About 4-(4-chloro-6-cyclopropyl-2-pyridinyl)morpholine;cyclopropylboronic acid;(3R)-N-[5-(2-cyclopropyl-6-morpholin-4-yl-4-pyridinyl)-2-fluoro-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

4-(4-chloro-6-cyclopropyl-2-pyridinyl)morpholine;cyclopropylboronic acid;(3R)-N-[5-(2-cyclopropyl-6-morpholin-4-yl-4-pyridinyl)-2-fluoro-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 164948662) has the molecular formula C70H92B2Cl3F5N10O9 and a molecular weight of 1440.54 g/mol. Its IUPAC name is 4-(4-chloro-6-cyclopropyl-2-pyridinyl)morpholine;cyclopropylboronic acid;(3R)-N-[5-(2-cyclopropyl-6-morpholin-4-yl-4-pyridinyl)-2-fluoro-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(4-chloro-6-cyclopropyl-2-pyridinyl)morpholine;cyclopropylboronic acid;(3R)-N-[5-(2-cyclopropyl-6-morpholin-4-yl-4-pyridinyl)-2-fluoro-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• PubChem CID: 164948662
• Molecular Formula: C70H92B2Cl3F5N10O9
• Molecular Weight: 1440.54 g/mol
• Exact Mass: 1438.62
• IUPAC Name: 4-(4-chloro-6-cyclopropyl-2-pyridinyl)morpholine;cyclopropylboronic acid;(3R)-N-[5-(2-cyclopropyl-6-morpholin-4-yl-4-pyridinyl)-2-fluoro-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• SMILES: CC[C@@H]1CCN(C(=O)Nc2cc(-c3cc(C4CC4)nc(N4CCOCC4)c3)c(C)cc2F)C1.Cc1cc(F)c(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(C2CC2)nc(N2CCOCC2)c1.Clc1cc(Cl)nc(N2CCOCC2)c1.OB(O)C1CC1
• InChI: InChI=1S/C26H33FN4O2.C20H27BF4N2O3.C12H15ClN2O.C9H10Cl2N2O.C3H7BO2/c1-3-18-6-7-31(16-18)26(32)29-24-15-21(17(2)12-22(24)27)20-13-23(19-4-5-19)28-25(14-20)30-8-10-33-11-9-30;1-12-8-15(22)16(9-14(12)21-29-18(2,3)19(4,5)30-21)26-17(28)27-7-6-13(11-27)10-20(23,24)25;13-10-7-11(9-1-2-9)14-12(8-10)15-3-5-16-6-4-15;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;5-4(6)3-1-2-3/h12-15,18-19H,3-11,16H2,1-2H3,(H,29,32);8-9,13H,6-7,10-11H2,1-5H3,(H,26,28);7-9H,1-6H2;5-6H,1-4H2;3,5-6H,1-2H2/t18-;13-;;;/m10.../s1
• InChIKey: AFKYFVQEMLYDID-IZTIZWBASA-N
• XLogP: 13.71
• TPSA: 199.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1440.54
LogP ≤ 5	13.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-cyclopropyl-2-pyridinyl)morpholine;cyclopropylboronic acid;(3R)-N-[5-(2-cyclopropyl-6-morpholin-4-yl-4-pyridinyl)-2-fluoro-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The IUPAC name of 4-(4-chloro-6-cyclopropyl-2-pyridinyl)morpholine;cyclopropylboronic acid;(3R)-N-[5-(2-cyclopropyl-6-morpholin-4-yl-4-pyridinyl)-2-fluoro-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 164948662) is 4-(4-chloro-6-cyclopropyl-2-pyridinyl)morpholine;cyclopropylboronic acid;(3R)-N-[5-(2-cyclopropyl-6-morpholin-4-yl-4-pyridinyl)-2-fluoro-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

What is the SMILES notation for 4-(4-chloro-6-cyclopropyl-2-pyridinyl)morpholine;cyclopropylboronic acid;(3R)-N-[5-(2-cyclopropyl-6-morpholin-4-yl-4-pyridinyl)-2-fluoro-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The canonical SMILES for 4-(4-chloro-6-cyclopropyl-2-pyridinyl)morpholine;cyclopropylboronic acid;(3R)-N-[5-(2-cyclopropyl-6-morpholin-4-yl-4-pyridinyl)-2-fluoro-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CC[C@@H]1CCN(C(=O)Nc2cc(-c3cc(C4CC4)nc(N4CCOCC4)c3)c(C)cc2F)C1.Cc1cc(F)c(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(C2CC2)nc(N2CCOCC2)c1.Clc1cc(Cl)nc(N2CCOCC2)c1.OB(O)C1CC1.

What is the InChIKey of 4-(4-chloro-6-cyclopropyl-2-pyridinyl)morpholine;cyclopropylboronic acid;(3R)-N-[5-(2-cyclopropyl-6-morpholin-4-yl-4-pyridinyl)-2-fluoro-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The InChIKey is AFKYFVQEMLYDID-IZTIZWBASA-N. The full InChI is InChI=1S/C26H33FN4O2.C20H27BF4N2O3.C12H15ClN2O.C9H10Cl2N2O.C3H7BO2/c1-3-18-6-7-31(16-18)26(32)29-24-15-21(17(2)12-22(24)27)20-13-23(19-4-5-19)28-25(14-20)30-8-10-33-11-9-30;1-12-8-15(22)16(9-14(12)21-29-18(2,3)19(4,5)30-21)26-17(28)27-7-6-13(11-27)10-20(23,24)25;13-10-7-11(9-1-2-9)14-12(8-10)15-3-5-16-6-4-15;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;5-4(6)3-1-2-3/h12-15,18-19H,3-11,16H2,1-2H3,(H,29,32);8-9,13H,6-7,10-11H2,1-5H3,(H,26,28);7-9H,1-6H2;5-6H,1-4H2;3,5-6H,1-2H2/t18-;13-;;;/m10.../s1.

What are the key properties of 4-(4-chloro-6-cyclopropyl-2-pyridinyl)morpholine;cyclopropylboronic acid;(3R)-N-[5-(2-cyclopropyl-6-morpholin-4-yl-4-pyridinyl)-2-fluoro-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

4-(4-chloro-6-cyclopropyl-2-pyridinyl)morpholine;cyclopropylboronic acid;(3R)-N-[5-(2-cyclopropyl-6-morpholin-4-yl-4-pyridinyl)-2-fluoro-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 1440.54 g/mol, XLogP of 13.71, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chloro-6-cyclopropyl-2-pyridinyl)morpholine;cyclopropylboronic acid;(3R)-N-[5-(2-cyclopropyl-6-morpholin-4-yl-4-pyridinyl)-2-fluoro-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164948662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).