1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-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

C60H78BClF6N12O8 — CID 159542268

About 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-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;(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 159542268) has the molecular formula C60H78BClF6N12O8 and a molecular weight of 1255.61 g/mol. Its IUPAC name is 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-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;(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: 159542268
• Molecular Formula: C60H78BClF6N12O8
• Molecular Weight: 1255.61 g/mol
• Exact Mass: 1254.58
• IUPAC Name: 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-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.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
• InChI: InChI=1S/C27H33F3N6O3.C20H28BF3N2O3.C13H17ClN4O2/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/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/t19-;14-;/m00./s1
• InChIKey: MEJDISDIXNGKRP-OHJBANLZSA-N
• XLogP: 10.12
• TPSA: 180.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1255.61
LogP ≤ 5	10.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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-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;(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 159542268) is 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-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;(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;(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.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.

What is the InChIKey of 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-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 MEJDISDIXNGKRP-OHJBANLZSA-N. The full InChI is InChI=1S/C27H33F3N6O3.C20H28BF3N2O3.C13H17ClN4O2/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/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/t19-;14-;/m00./s1.

What are the key properties of 1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-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;(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 1255.61 g/mol, XLogP of 10.12, 10 rotatable bonds, 2 hydrogen bond donors, and 12 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;(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 159542268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).