1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-hydroxypyrrolidin-2-one;(3R)-3-ethyl-N-[3-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C60H79BClF3N10O10 — CID 159116362

About 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-hydroxypyrrolidin-2-one;(3R)-3-ethyl-N-[3-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-hydroxypyrrolidin-2-one;(3R)-3-ethyl-N-[3-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 159116362) has the molecular formula C60H79BClF3N10O10 and a molecular weight of 1203.61 g/mol. Its IUPAC name is 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-hydroxypyrrolidin-2-one;(3R)-3-ethyl-N-[3-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-hydroxypyrrolidin-2-one;(3R)-3-ethyl-N-[3-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• PubChem CID: 159116362
• Molecular Formula: C60H79BClF3N10O10
• Molecular Weight: 1203.61 g/mol
• Exact Mass: 1202.57
• IUPAC Name: 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-hydroxypyrrolidin-2-one;(3R)-3-ethyl-N-[3-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(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)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(N4CCC(O)C4=O)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.O=C1C(O)CCN1c1cc(Cl)cc(N2CCOCC2)n1
• InChI: InChI=1S/C27H35N5O4.C20H28BF3N2O3.C13H16ClN3O3/c1-3-19-6-8-31(17-19)27(35)28-21-5-4-18(2)22(16-21)20-14-24(30-10-12-36-13-11-30)29-25(15-20)32-9-7-23(33)26(32)34;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;14-9-7-11(16-3-5-20-6-4-16)15-12(8-9)17-2-1-10(18)13(17)19/h4-5,14-16,19,23,33H,3,6-13,17H2,1-2H3,(H,28,35);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,10,18H,1-6H2/t19-,23?;14-;/m10./s1
• InChIKey: KFDGMRSCZCRLGI-NHMHGJLUSA-N
• XLogP: 8.02
• TPSA: 214.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1203.61
LogP ≤ 5	8.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-hydroxypyrrolidin-2-one;(3R)-3-ethyl-N-[3-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The IUPAC name of 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-hydroxypyrrolidin-2-one;(3R)-3-ethyl-N-[3-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 159116362) is 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-hydroxypyrrolidin-2-one;(3R)-3-ethyl-N-[3-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(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 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-hydroxypyrrolidin-2-one;(3R)-3-ethyl-N-[3-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The canonical SMILES for 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-hydroxypyrrolidin-2-one;(3R)-3-ethyl-N-[3-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(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)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(N4CCC(O)C4=O)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.O=C1C(O)CCN1c1cc(Cl)cc(N2CCOCC2)n1.

What is the InChIKey of 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-hydroxypyrrolidin-2-one;(3R)-3-ethyl-N-[3-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The InChIKey is KFDGMRSCZCRLGI-NHMHGJLUSA-N. The full InChI is InChI=1S/C27H35N5O4.C20H28BF3N2O3.C13H16ClN3O3/c1-3-19-6-8-31(17-19)27(35)28-21-5-4-18(2)22(16-21)20-14-24(30-10-12-36-13-11-30)29-25(15-20)32-9-7-23(33)26(32)34;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;14-9-7-11(16-3-5-20-6-4-16)15-12(8-9)17-2-1-10(18)13(17)19/h4-5,14-16,19,23,33H,3,6-13,17H2,1-2H3,(H,28,35);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,10,18H,1-6H2/t19-,23?;14-;/m10./s1.

What are the key properties of 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-hydroxypyrrolidin-2-one;(3R)-3-ethyl-N-[3-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-hydroxypyrrolidin-2-one;(3R)-3-ethyl-N-[3-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(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 1203.61 g/mol, XLogP of 8.02, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-hydroxypyrrolidin-2-one;(3R)-3-ethyl-N-[3-[2-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(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 159116362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).