2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;bis(N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide);N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C112H112BClF12N16O10Si2 — CID 164967602

About 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;bis(N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide);N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;bis(N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide);N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 164967602) has the molecular formula C112H112BClF12N16O10Si2 and a molecular weight of 2172.64 g/mol. Its IUPAC name is 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;bis(N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide);N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;bis(N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide);N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• PubChem CID: 164967602
• Molecular Formula: C112H112BClF12N16O10Si2
• Molecular Weight: 2172.64 g/mol
• Exact Mass: 2170.79
• IUPAC Name: 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;bis(N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide);N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• SMILES: C#Cc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.C#Cc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.C[Si](C)(C)C#Cc1ncc(Cl)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(C#C[Si](C)(C)C)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C28H29F3N4O2Si.2C25H21F3N4O2.C20H22BF3N2O3.C14H19ClN2OSi/c1-19-5-6-22(34-27(36)20-7-9-32-26(16-20)28(29,30)31)17-23(19)21-15-25(35-10-12-37-13-11-35)24(33-18-21)8-14-38(2,3)4;2*1-3-21-22(32-8-10-34-11-9-32)12-18(15-30-21)20-14-19(5-4-16(20)2)31-24(33)17-6-7-29-23(13-17)25(26,27)28;1-12-6-7-14(11-15(12)21-28-18(2,3)19(4,5)29-21)26-17(27)13-8-9-25-16(10-13)20(22,23)24;1-19(2,3)9-4-13-14(10-12(15)11-16-13)17-5-7-18-8-6-17/h5-7,9,15-18H,10-13H2,1-4H3,(H,34,36);2*1,4-7,12-15H,8-11H2,2H3,(H,31,33);6-11H,1-5H3,(H,26,27);10-11H,5-8H2,1-3H3
• InChIKey: CRKKIRPVSZTPRF-UHFFFAOYSA-N
• XLogP: 21.63
• TPSA: 287.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2172.64
LogP ≤ 5	21.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;bis(N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide);N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The IUPAC name of 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;bis(N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide);N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 164967602) is 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;bis(N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide);N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

What is the SMILES notation for 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;bis(N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide);N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The canonical SMILES for 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;bis(N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide);N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is C#Cc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.C#Cc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.C[Si](C)(C)C#Cc1ncc(Cl)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(C#C[Si](C)(C)C)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;bis(N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide);N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The InChIKey is CRKKIRPVSZTPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O2Si.2C25H21F3N4O2.C20H22BF3N2O3.C14H19ClN2OSi/c1-19-5-6-22(34-27(36)20-7-9-32-26(16-20)28(29,30)31)17-23(19)21-15-25(35-10-12-37-13-11-35)24(33-18-21)8-14-38(2,3)4;2*1-3-21-22(32-8-10-34-11-9-32)12-18(15-30-21)20-14-19(5-4-16(20)2)31-24(33)17-6-7-29-23(13-17)25(26,27)28;1-12-6-7-14(11-15(12)21-28-18(2,3)19(4,5)29-21)26-17(27)13-8-9-25-16(10-13)20(22,23)24;1-19(2,3)9-4-13-14(10-12(15)11-16-13)17-5-7-18-8-6-17/h5-7,9,15-18H,10-13H2,1-4H3,(H,34,36);2*1,4-7,12-15H,8-11H2,2H3,(H,31,33);6-11H,1-5H3,(H,26,27);10-11H,5-8H2,1-3H3.

What are the key properties of 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;bis(N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide);N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;bis(N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide);N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 2172.64 g/mol, XLogP of 21.63, 16 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;bis(N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide);N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 164967602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).