1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylimidazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;1-methylimidazolidin-2-one;(3S)-N-[4-methyl-3-[2-(3-methyl-2-oxoimidazolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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

C73H96BCl3F6N16O10 — CID 159545761

About 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylimidazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;1-methylimidazolidin-2-one;(3S)-N-[4-methyl-3-[2-(3-methyl-2-oxoimidazolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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-methylimidazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;1-methylimidazolidin-2-one;(3S)-N-[4-methyl-3-[2-(3-methyl-2-oxoimidazolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 159545761) has the molecular formula C73H96BCl3F6N16O10 and a molecular weight of 1588.83 g/mol. Its IUPAC name is 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylimidazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;1-methylimidazolidin-2-one;(3S)-N-[4-methyl-3-[2-(3-methyl-2-oxoimidazolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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-methylimidazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;1-methylimidazolidin-2-one;(3S)-N-[4-methyl-3-[2-(3-methyl-2-oxoimidazolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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: 159545761
• Molecular Formula: C73H96BCl3F6N16O10
• Molecular Weight: 1588.83 g/mol
• Exact Mass: 1586.66
• IUPAC Name: 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylimidazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;1-methylimidazolidin-2-one;(3S)-N-[4-methyl-3-[2-(3-methyl-2-oxoimidazolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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: CN1CCN(c2cc(Cl)cc(N3CCOCC3)n2)C1=O.CN1CCNC1=O.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2CCN(C)C2=O)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(Cl)nc(N2CCOCC2)c1
• InChI: InChI=1S/C27H33F3N6O3.C20H28BF3N2O3.C13H17ClN4O2.C9H10Cl2N2O.C4H8N2O/c1-18-3-4-21(31-25(37)35-6-5-19(17-35)16-27(28,29)30)15-22(18)20-13-23(34-9-11-39-12-10-34)32-24(14-20)36-8-7-33(2)26(36)38;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;1-16-2-3-18(13(16)19)12-9-10(14)8-11(15-12)17-4-6-20-7-5-17;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-6-3-2-5-4(6)7/h3-4,13-15,19H,5-12,16-17H2,1-2H3,(H,31,37);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);8-9H,2-7H2,1H3;5-6H,1-4H2;2-3H2,1H3,(H,5,7)/t19-;14-;;;/m00.../s1
• InChIKey: METWWTXJKFJTNM-CUPKJWGSSA-N
• XLogP: 11.98
• TPSA: 238.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1588.83
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

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 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylimidazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;1-methylimidazolidin-2-one;(3S)-N-[4-methyl-3-[2-(3-methyl-2-oxoimidazolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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-methylimidazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;1-methylimidazolidin-2-one;(3S)-N-[4-methyl-3-[2-(3-methyl-2-oxoimidazolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 159545761) is 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylimidazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;1-methylimidazolidin-2-one;(3S)-N-[4-methyl-3-[2-(3-methyl-2-oxoimidazolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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-methylimidazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;1-methylimidazolidin-2-one;(3S)-N-[4-methyl-3-[2-(3-methyl-2-oxoimidazolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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-methylimidazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;1-methylimidazolidin-2-one;(3S)-N-[4-methyl-3-[2-(3-methyl-2-oxoimidazolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 CN1CCN(c2cc(Cl)cc(N3CCOCC3)n2)C1=O.CN1CCNC1=O.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2CCN(C)C2=O)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(Cl)nc(N2CCOCC2)c1.

What is the InChIKey of 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylimidazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;1-methylimidazolidin-2-one;(3S)-N-[4-methyl-3-[2-(3-methyl-2-oxoimidazolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 METWWTXJKFJTNM-CUPKJWGSSA-N. The full InChI is InChI=1S/C27H33F3N6O3.C20H28BF3N2O3.C13H17ClN4O2.C9H10Cl2N2O.C4H8N2O/c1-18-3-4-21(31-25(37)35-6-5-19(17-35)16-27(28,29)30)15-22(18)20-13-23(34-9-11-39-12-10-34)32-24(14-20)36-8-7-33(2)26(36)38;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;1-16-2-3-18(13(16)19)12-9-10(14)8-11(15-12)17-4-6-20-7-5-17;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-6-3-2-5-4(6)7/h3-4,13-15,19H,5-12,16-17H2,1-2H3,(H,31,37);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);8-9H,2-7H2,1H3;5-6H,1-4H2;2-3H2,1H3,(H,5,7)/t19-;14-;;;/m00.../s1.

What are the key properties of 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylimidazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;1-methylimidazolidin-2-one;(3S)-N-[4-methyl-3-[2-(3-methyl-2-oxoimidazolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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-methylimidazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;1-methylimidazolidin-2-one;(3S)-N-[4-methyl-3-[2-(3-methyl-2-oxoimidazolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 1588.83 g/mol, XLogP of 11.98, 11 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylimidazolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;1-methylimidazolidin-2-one;(3S)-N-[4-methyl-3-[2-(3-methyl-2-oxoimidazolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 159545761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).