bis(4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)morpholine);2,4-dichloropyrido[2,3-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine

C80H79BCl4F6N18O8 — CID 157153256

About bis(4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)morpholine);2,4-dichloropyrido[2,3-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine

bis(4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)morpholine);2,4-dichloropyrido[2,3-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine (PubChem CID 157153256) has the molecular formula C80H79BCl4F6N18O8 and a molecular weight of 1687.24 g/mol. Its IUPAC name is bis(4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)morpholine);2,4-dichloropyrido[2,3-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine.

Molecular Properties

• Compound Name: bis(4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)morpholine);2,4-dichloropyrido[2,3-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine
• PubChem CID: 157153256
• Molecular Formula: C80H79BCl4F6N18O8
• Molecular Weight: 1687.24 g/mol
• Exact Mass: 1684.51
• IUPAC Name: bis(4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)morpholine);2,4-dichloropyrido[2,3-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine
• SMILES: C1COCCN1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nc(N2CCOCC2)c2cccnc2n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1nc(Cl)c2cccnc2n1.Clc1nc(N2CCOCC2)c2cccnc2n1.Clc1nc(N2CCOCC2)c2cccnc2n1
• InChI: InChI=1S/C26H22F3N5O2.C21H23BF3NO3.2C11H11ClN4O.C7H3Cl2N3.C4H9NO/c1-16-7-8-19(31-25(35)17-4-2-5-18(14-17)26(27,28)29)15-21(16)23-32-22-20(6-3-9-30-22)24(33-23)34-10-12-36-13-11-34;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;2*12-11-14-9-8(2-1-3-13-9)10(15-11)16-4-6-17-7-5-16;8-5-4-2-1-3-10-6(4)12-7(9)11-5;1-3-6-4-2-5-1/h2-9,14-15H,10-13H2,1H3,(H,31,35);6-12H,1-5H3,(H,26,27);2*1-3H,4-7H2;1-3H;5H,1-4H2
• InChIKey: ALMVPSUTOSSCEW-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 290.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 9
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1687.24
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)morpholine);2,4-dichloropyrido[2,3-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?

The IUPAC name of bis(4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)morpholine);2,4-dichloropyrido[2,3-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine (CID 157153256) is bis(4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)morpholine);2,4-dichloropyrido[2,3-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine.

What is the SMILES notation for bis(4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)morpholine);2,4-dichloropyrido[2,3-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?

The canonical SMILES for bis(4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)morpholine);2,4-dichloropyrido[2,3-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine is C1COCCN1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nc(N2CCOCC2)c2cccnc2n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1nc(Cl)c2cccnc2n1.Clc1nc(N2CCOCC2)c2cccnc2n1.Clc1nc(N2CCOCC2)c2cccnc2n1.

What is the InChIKey of bis(4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)morpholine);2,4-dichloropyrido[2,3-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?

The InChIKey is ALMVPSUTOSSCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O2.C21H23BF3NO3.2C11H11ClN4O.C7H3Cl2N3.C4H9NO/c1-16-7-8-19(31-25(35)17-4-2-5-18(14-17)26(27,28)29)15-21(16)23-32-22-20(6-3-9-30-22)24(33-23)34-10-12-36-13-11-34;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;2*12-11-14-9-8(2-1-3-13-9)10(15-11)16-4-6-17-7-5-16;8-5-4-2-1-3-10-6(4)12-7(9)11-5;1-3-6-4-2-5-1/h2-9,14-15H,10-13H2,1H3,(H,31,35);6-12H,1-5H3,(H,26,27);2*1-3H,4-7H2;1-3H;5H,1-4H2.

What are the key properties of bis(4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)morpholine);2,4-dichloropyrido[2,3-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?

bis(4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)morpholine);2,4-dichloropyrido[2,3-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine has a molecular weight of 1687.24 g/mol, XLogP of 14.64, 9 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)morpholine);2,4-dichloropyrido[2,3-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine is sourced from PubChem (CID 157153256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).