[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)triazol-1-yl]methyl-trimethylsilane;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[1-(trimethylsilylmethyl)triazol-4-yl]-4-pyridinyl]phenyl]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

C64H91BClF3N14O6Si2 — CID 164989631

About [4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)triazol-1-yl]methyl-trimethylsilane;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[1-(trimethylsilylmethyl)triazol-4-yl]-4-pyridinyl]phenyl]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

[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)triazol-1-yl]methyl-trimethylsilane;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[1-(trimethylsilylmethyl)triazol-4-yl]-4-pyridinyl]phenyl]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 164989631) has the molecular formula C64H91BClF3N14O6Si2 and a molecular weight of 1311.95 g/mol. Its IUPAC name is [4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)triazol-1-yl]methyl-trimethylsilane;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[1-(trimethylsilylmethyl)triazol-4-yl]-4-pyridinyl]phenyl]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: [4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)triazol-1-yl]methyl-trimethylsilane;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[1-(trimethylsilylmethyl)triazol-4-yl]-4-pyridinyl]phenyl]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: 164989631
• Molecular Formula: C64H91BClF3N14O6Si2
• Molecular Weight: 1311.95 g/mol
• Exact Mass: 1310.65
• IUPAC Name: [4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)triazol-1-yl]methyl-trimethylsilane;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[1-(trimethylsilylmethyl)triazol-4-yl]-4-pyridinyl]phenyl]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: CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cn(C[Si](C)(C)C)nn4)nc(N4CCOCC4)c3)c2)C1.C[Si](C)(C)Cn1cc(-c2cc(Cl)cc(N3CCOCC3)n2)nn1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C29H41N7O2Si.C20H28BF3N2O3.C15H22ClN5OSi/c1-6-22-9-10-35(18-22)29(37)30-24-8-7-21(2)25(17-24)23-15-26(27-19-36(33-32-27)20-39(3,4)5)31-28(16-23)34-11-13-38-14-12-34;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;1-23(2,3)11-21-10-14(18-19-21)13-8-12(16)9-15(17-13)20-4-6-22-7-5-20/h7-8,15-17,19,22H,6,9-14,18,20H2,1-5H3,(H,30,37);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);8-10H,4-7,11H2,1-3H3/t22-;14-;/m10./s1
• InChIKey: GRAWTUDAMFELLM-VODLGBQOSA-N
• XLogP: 12.10
• TPSA: 195.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1311.95
LogP ≤ 5	12.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)triazol-1-yl]methyl-trimethylsilane;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[1-(trimethylsilylmethyl)triazol-4-yl]-4-pyridinyl]phenyl]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 [4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)triazol-1-yl]methyl-trimethylsilane;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[1-(trimethylsilylmethyl)triazol-4-yl]-4-pyridinyl]phenyl]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 164989631) is [4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)triazol-1-yl]methyl-trimethylsilane;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[1-(trimethylsilylmethyl)triazol-4-yl]-4-pyridinyl]phenyl]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 [4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)triazol-1-yl]methyl-trimethylsilane;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[1-(trimethylsilylmethyl)triazol-4-yl]-4-pyridinyl]phenyl]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 [4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)triazol-1-yl]methyl-trimethylsilane;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[1-(trimethylsilylmethyl)triazol-4-yl]-4-pyridinyl]phenyl]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 CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cn(C[Si](C)(C)C)nn4)nc(N4CCOCC4)c3)c2)C1.C[Si](C)(C)Cn1cc(-c2cc(Cl)cc(N3CCOCC3)n2)nn1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of [4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)triazol-1-yl]methyl-trimethylsilane;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[1-(trimethylsilylmethyl)triazol-4-yl]-4-pyridinyl]phenyl]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 GRAWTUDAMFELLM-VODLGBQOSA-N. The full InChI is InChI=1S/C29H41N7O2Si.C20H28BF3N2O3.C15H22ClN5OSi/c1-6-22-9-10-35(18-22)29(37)30-24-8-7-21(2)25(17-24)23-15-26(27-19-36(33-32-27)20-39(3,4)5)31-28(16-23)34-11-13-38-14-12-34;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;1-23(2,3)11-21-10-14(18-19-21)13-8-12(16)9-15(17-13)20-4-6-22-7-5-20/h7-8,15-17,19,22H,6,9-14,18,20H2,1-5H3,(H,30,37);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);8-10H,4-7,11H2,1-3H3/t22-;14-;/m10./s1.

What are the key properties of [4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)triazol-1-yl]methyl-trimethylsilane;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[1-(trimethylsilylmethyl)triazol-4-yl]-4-pyridinyl]phenyl]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?

[4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)triazol-1-yl]methyl-trimethylsilane;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[1-(trimethylsilylmethyl)triazol-4-yl]-4-pyridinyl]phenyl]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 1311.95 g/mol, XLogP of 12.10, 14 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)triazol-1-yl]methyl-trimethylsilane;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[1-(trimethylsilylmethyl)triazol-4-yl]-4-pyridinyl]phenyl]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 164989631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).