4-[4-chloro-6-(3-pyrrolidin-1-ylprop-1-ynyl)-2-pyridinyl]morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-pyrrolidin-1-ylprop-1-ynyl)-4-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

C66H72BClF6N10O6 — CID 165009787

About 4-[4-chloro-6-(3-pyrrolidin-1-ylprop-1-ynyl)-2-pyridinyl]morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-pyrrolidin-1-ylprop-1-ynyl)-4-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

4-[4-chloro-6-(3-pyrrolidin-1-ylprop-1-ynyl)-2-pyridinyl]morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-pyrrolidin-1-ylprop-1-ynyl)-4-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 165009787) has the molecular formula C66H72BClF6N10O6 and a molecular weight of 1261.62 g/mol. Its IUPAC name is 4-[4-chloro-6-(3-pyrrolidin-1-ylprop-1-ynyl)-2-pyridinyl]morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-pyrrolidin-1-ylprop-1-ynyl)-4-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: 4-[4-chloro-6-(3-pyrrolidin-1-ylprop-1-ynyl)-2-pyridinyl]morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-pyrrolidin-1-ylprop-1-ynyl)-4-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: 165009787
• Molecular Formula: C66H72BClF6N10O6
• Molecular Weight: 1261.62 g/mol
• Exact Mass: 1260.53
• IUPAC Name: 4-[4-chloro-6-(3-pyrrolidin-1-ylprop-1-ynyl)-2-pyridinyl]morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-pyrrolidin-1-ylprop-1-ynyl)-4-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: Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CCN2CCCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(C#CCN2CCCC2)nc(N2CCOCC2)c1
• InChI: InChI=1S/C30H30F3N5O2.C20H22BF3N2O3.C16H20ClN3O/c1-21-6-7-25(36-29(39)22-8-9-34-27(18-22)30(31,32)33)20-26(21)23-17-24(5-4-12-37-10-2-3-11-37)35-28(19-23)38-13-15-40-16-14-38;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;17-14-12-15(4-3-7-19-5-1-2-6-19)18-16(13-14)20-8-10-21-11-9-20/h6-9,17-20H,2-3,10-16H2,1H3,(H,36,39);6-11H,1-5H3,(H,26,27);12-13H,1-2,5-11H2
• InChIKey: JNHDWJSQHMDPMN-UHFFFAOYSA-N
• XLogP: 10.99
• TPSA: 159.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1261.62
LogP ≤ 5	10.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

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 4-[4-chloro-6-(3-pyrrolidin-1-ylprop-1-ynyl)-2-pyridinyl]morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-pyrrolidin-1-ylprop-1-ynyl)-4-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 4-[4-chloro-6-(3-pyrrolidin-1-ylprop-1-ynyl)-2-pyridinyl]morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-pyrrolidin-1-ylprop-1-ynyl)-4-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 165009787) is 4-[4-chloro-6-(3-pyrrolidin-1-ylprop-1-ynyl)-2-pyridinyl]morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-pyrrolidin-1-ylprop-1-ynyl)-4-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 4-[4-chloro-6-(3-pyrrolidin-1-ylprop-1-ynyl)-2-pyridinyl]morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-pyrrolidin-1-ylprop-1-ynyl)-4-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 4-[4-chloro-6-(3-pyrrolidin-1-ylprop-1-ynyl)-2-pyridinyl]morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-pyrrolidin-1-ylprop-1-ynyl)-4-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 Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CCN2CCCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(C#CCN2CCCC2)nc(N2CCOCC2)c1.

What is the InChIKey of 4-[4-chloro-6-(3-pyrrolidin-1-ylprop-1-ynyl)-2-pyridinyl]morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-pyrrolidin-1-ylprop-1-ynyl)-4-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 JNHDWJSQHMDPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N5O2.C20H22BF3N2O3.C16H20ClN3O/c1-21-6-7-25(36-29(39)22-8-9-34-27(18-22)30(31,32)33)20-26(21)23-17-24(5-4-12-37-10-2-3-11-37)35-28(19-23)38-13-15-40-16-14-38;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;17-14-12-15(4-3-7-19-5-1-2-6-19)18-16(13-14)20-8-10-21-11-9-20/h6-9,17-20H,2-3,10-16H2,1H3,(H,36,39);6-11H,1-5H3,(H,26,27);12-13H,1-2,5-11H2.

What are the key properties of 4-[4-chloro-6-(3-pyrrolidin-1-ylprop-1-ynyl)-2-pyridinyl]morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-pyrrolidin-1-ylprop-1-ynyl)-4-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?

4-[4-chloro-6-(3-pyrrolidin-1-ylprop-1-ynyl)-2-pyridinyl]morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-pyrrolidin-1-ylprop-1-ynyl)-4-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 1261.62 g/mol, XLogP of 10.99, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-6-(3-pyrrolidin-1-ylprop-1-ynyl)-2-pyridinyl]morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-pyrrolidin-1-ylprop-1-ynyl)-4-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 165009787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).