2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;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

C62H70BClF6N8O6Si2 — CID 164973626

IUPAC2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;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
SMILESC[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
InChIInChI=1S/C28H29F3N4O2Si.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;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);6-11H,1-5H3,(H,26,27);10-11H,5-8H2,1-3H3
InChIKeyDLSLQKKSEYKHCH-UHFFFAOYSA-N
MW1239.72 g/mol
LogP12.55
Rot. Bonds8

About 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;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;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 164973626) has the molecular formula C62H70BClF6N8O6Si2 and a molecular weight of 1239.72 g/mol. Its IUPAC name is 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;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 Name2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;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 CID164973626
Molecular FormulaC62H70BClF6N8O6Si2
Molecular Weight1239.72 g/mol
Exact Mass1238.46
IUPAC Name2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;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
SMILESC[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
InChIInChI=1S/C28H29F3N4O2Si.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;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);6-11H,1-5H3,(H,26,27);10-11H,5-8H2,1-3H3
InChIKeyDLSLQKKSEYKHCH-UHFFFAOYSA-N
XLogP12.55
TPSA153.16 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001239.72
LogP ≤ 512.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;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 with MolForge

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Related Compounds

2-[(4aS,5R)-9-chloro-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]propan-2-ol;N-[3-[(4aS,5R)-5-(2-hydroxypropan-2-yl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl]-4-methylphenyl]-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 159072215
N-[5-(6-chloro-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 161639362
N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 163255602
N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;ethane
CID 163255696
1-bromo-2-(2-bromoethoxy)ethane;5-bromo-2-chloropyridin-3-amine;4-(5-bromo-2-chloro-3-pyridinyl)morpholine;N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-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 164950851
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
CID 164963558
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
N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methyl 5-[5-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]pent-4-ynoate;methyl pent-4-ynoate
CID 164967691
tert-butyl N-[1-[2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethynyl]cyclopropyl]carbamate;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 164986464
N-[3-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;4-ethynyloxane;N-[4-methyl-3-[5-morpholin-4-yl-6-[2-(oxan-4-yl)ethynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 164989668
tert-butyl N-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)prop-2-ynyl]-N-methylcarbamate;tert-butyl N-methyl-N-[3-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]prop-2-ynyl]carbamate;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 164989725
tert-butyl 3-[2-[5-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]ethynyl]pyrrolidine-1-carboxylate;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-pyrrolidin-3-ylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 164998672

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;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;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 164973626) is 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;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;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;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[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;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 DLSLQKKSEYKHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O2Si.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;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);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;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;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 1239.72 g/mol, XLogP of 12.55, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl-trimethylsilane;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 164973626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).