2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;N-[5-[6-(1,1-dioxothian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[2-(2-hydroxyethoxy)ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(trideuteriomethoxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

C156H165F15N26O22S — CID 159557691

About 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;N-[5-[6-(1,1-dioxothian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[2-(2-hydroxyethoxy)ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(trideuteriomethoxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;N-[5-[6-(1,1-dioxothian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[2-(2-hydroxyethoxy)ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(trideuteriomethoxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 159557691) has the molecular formula C156H165F15N26O22S and a molecular weight of 3076.25 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;N-[5-[6-(1,1-dioxothian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[2-(2-hydroxyethoxy)ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(trideuteriomethoxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;N-[5-[6-(1,1-dioxothian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[2-(2-hydroxyethoxy)ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(trideuteriomethoxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 159557691
• Molecular Formula: C156H165F15N26O22S
• Molecular Weight: 3076.25 g/mol
• Exact Mass: 3074.23
• IUPAC Name: 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;N-[5-[6-(1,1-dioxothian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[2-(2-hydroxyethoxy)ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(trideuteriomethoxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
• SMILES: CCOc1ccc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)cnc2C)nc1N1CCOCC1.Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCS(=O)(=O)CC2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCOCCO)c(N2CCOCC2)c1.[2H]C([2H])([2H])Oc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1
• InChI: InChI=1S/C28H29F3N4O5S.C27H29F3N4O5.C26H29F2N5O3.C26H28F2N4O3.C25H27F2N5O3.C24H23F3N4O3/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-9-39-10-8-35)27(33-16-20)40-23-5-11-41(37,38)12-6-23;1-18-23(15-22(17-31-18)33-25(36)19-3-2-4-21(13-19)27(28,29)30)20-14-24(34-5-8-37-9-6-34)26(32-16-20)39-12-11-38-10-7-35;1-17-3-4-20(31-25(35)18-5-6-29-22(13-18)26(2,27)28)16-21(17)19-14-23(30-7-10-34)32-24(15-19)33-8-11-36-12-9-33;1-17-5-6-21(30-26(34)19-4-2-3-18(13-19)25(27)28)16-22(17)20-14-23(29-7-10-33)31-24(15-20)32-8-11-35-12-9-32;1-4-35-21-6-5-20(31-23(21)32-9-11-34-12-10-32)19-14-18(15-29-16(19)2)30-24(33)17-7-8-28-22(13-17)25(3,26)27;1-15-20(17-11-21(23(33-2)29-13-17)31-6-8-34-9-7-31)12-19(14-28-15)30-22(32)16-4-3-5-18(10-16)24(25,26)27/h2-4,13-17,23H,5-12H2,1H3,(H,34,36);2-4,13-17,35H,5-12H2,1H3,(H,33,36);3-6,13-16,34H,7-12H2,1-2H3,(H,30,32)(H,31,35);2-6,13-16,25,33H,7-12H2,1H3,(H,29,31)(H,30,34);5-8,13-15H,4,9-12H2,1-3H3,(H,30,33);3-5,10-14H,6-9H2,1-2H3,(H,30,32)/i;;;;;2D3
• InChIKey: MGEWOPZBISQBQB-ZQMIBIDDSA-N
• XLogP: 26.02
• TPSA: 569.14 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 42
• Rotatable Bonds: 45
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3076.25
LogP ≤ 5	26.02
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;N-[5-[6-(1,1-dioxothian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[2-(2-hydroxyethoxy)ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(trideuteriomethoxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;N-[5-[6-(1,1-dioxothian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[2-(2-hydroxyethoxy)ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(trideuteriomethoxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 159557691) is 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;N-[5-[6-(1,1-dioxothian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[2-(2-hydroxyethoxy)ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(trideuteriomethoxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;N-[5-[6-(1,1-dioxothian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[2-(2-hydroxyethoxy)ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(trideuteriomethoxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;N-[5-[6-(1,1-dioxothian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[2-(2-hydroxyethoxy)ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(trideuteriomethoxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is CCOc1ccc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)cnc2C)nc1N1CCOCC1.Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCS(=O)(=O)CC2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCOCCO)c(N2CCOCC2)c1.[2H]C([2H])([2H])Oc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.

What is the InChIKey of 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;N-[5-[6-(1,1-dioxothian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[2-(2-hydroxyethoxy)ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(trideuteriomethoxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?

The InChIKey is MGEWOPZBISQBQB-ZQMIBIDDSA-N. The full InChI is InChI=1S/C28H29F3N4O5S.C27H29F3N4O5.C26H29F2N5O3.C26H28F2N4O3.C25H27F2N5O3.C24H23F3N4O3/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-9-39-10-8-35)27(33-16-20)40-23-5-11-41(37,38)12-6-23;1-18-23(15-22(17-31-18)33-25(36)19-3-2-4-21(13-19)27(28,29)30)20-14-24(34-5-8-37-9-6-34)26(32-16-20)39-12-11-38-10-7-35;1-17-3-4-20(31-25(35)18-5-6-29-22(13-18)26(2,27)28)16-21(17)19-14-23(30-7-10-34)32-24(15-19)33-8-11-36-12-9-33;1-17-5-6-21(30-26(34)19-4-2-3-18(13-19)25(27)28)16-22(17)20-14-23(29-7-10-33)31-24(15-20)32-8-11-35-12-9-32;1-4-35-21-6-5-20(31-23(21)32-9-11-34-12-10-32)19-14-18(15-29-16(19)2)30-24(33)17-7-8-28-22(13-17)25(3,26)27;1-15-20(17-11-21(23(33-2)29-13-17)31-6-8-34-9-7-31)12-19(14-28-15)30-22(32)16-4-3-5-18(10-16)24(25,26)27/h2-4,13-17,23H,5-12H2,1H3,(H,34,36);2-4,13-17,35H,5-12H2,1H3,(H,33,36);3-6,13-16,34H,7-12H2,1-2H3,(H,30,32)(H,31,35);2-6,13-16,25,33H,7-12H2,1H3,(H,29,31)(H,30,34);5-8,13-15H,4,9-12H2,1-3H3,(H,30,33);3-5,10-14H,6-9H2,1-2H3,(H,30,32)/i;;;;;2D3.

What are the key properties of 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;N-[5-[6-(1,1-dioxothian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[2-(2-hydroxyethoxy)ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(trideuteriomethoxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?

2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;N-[5-[6-(1,1-dioxothian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[2-(2-hydroxyethoxy)ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(trideuteriomethoxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 3076.25 g/mol, XLogP of 26.02, 45 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]benzamide;N-[5-[6-(1,1-dioxothian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[2-(2-hydroxyethoxy)ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(trideuteriomethoxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159557691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).