2-[[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[6-[(3R)-3-methylmorpholin-4-yl]-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate

C106H118F9N15O28P4 — CID 157345714

About 2-[[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[6-[(3R)-3-methylmorpholin-4-yl]-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate

2-[[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[6-[(3R)-3-methylmorpholin-4-yl]-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate (PubChem CID 157345714) has the molecular formula C106H118F9N15O28P4 and a molecular weight of 2345.06 g/mol. Its IUPAC name is 2-[[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[6-[(3R)-3-methylmorpholin-4-yl]-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate.

Molecular Properties

• Compound Name: 2-[[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[6-[(3R)-3-methylmorpholin-4-yl]-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate
• PubChem CID: 157345714
• Molecular Formula: C106H118F9N15O28P4
• Molecular Weight: 2345.06 g/mol
• Exact Mass: 2343.71
• IUPAC Name: 2-[[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[6-[(3R)-3-methylmorpholin-4-yl]-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate
• SMILES: Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(OCCOP(=O)(O)O)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(OCCOP(=O)(O)O)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(OCCOP(=O)(O)O)nc(N2CCOC[C@H]2C)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCOP(=O)(O)O)nc(N2CCOC[C@H]2C)c1
• InChI: InChI=1S/C27H31F2N4O7P.C27H32FN4O7P.C26H28F3N4O7P.C26H27F3N3O7P/c1-17-4-5-21(31-26(34)19-6-7-30-23(12-19)27(3,28)29)15-22(17)20-13-24(33-8-9-38-16-18(33)2)32-25(14-20)39-10-11-40-41(35,36)37;1-18-4-5-21(30-26(33)19-6-7-29-23(14-19)27(2,3)28)17-22(18)20-15-24(32-8-10-37-11-9-32)31-25(16-20)38-12-13-39-40(34,35)36;1-16-3-4-20(31-25(34)18-5-6-30-22(11-18)26(27,28)29)14-21(16)19-12-23(33-7-8-38-15-17(33)2)32-24(13-19)39-9-10-40-41(35,36)37;1-17-5-6-21(30-25(33)18-3-2-4-20(13-18)26(27,28)29)16-22(17)19-14-23(32-7-9-37-10-8-32)31-24(15-19)38-11-12-39-40(34,35)36/h4-7,12-15,18H,8-11,16H2,1-3H3,(H,31,34)(H2,35,36,37);4-7,14-17H,8-13H2,1-3H3,(H,30,33)(H2,34,35,36);3-6,11-14,17H,7-10,15H2,1-2H3,(H,31,34)(H2,35,36,37);2-6,13-16H,7-12H2,1H3,(H,30,33)(H2,34,35,36)/t18-;;17-;/m1.1./s1
• InChIKey: BGYCLZFPCHBUHO-HCQPRZJMSA-N
• XLogP: 17.85
• TPSA: 560.47 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 38
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2345.06
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[6-[(3R)-3-methylmorpholin-4-yl]-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate?

The IUPAC name of 2-[[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[6-[(3R)-3-methylmorpholin-4-yl]-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate (CID 157345714) is 2-[[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[6-[(3R)-3-methylmorpholin-4-yl]-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate.

What is the SMILES notation for 2-[[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[6-[(3R)-3-methylmorpholin-4-yl]-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate?

The canonical SMILES for 2-[[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[6-[(3R)-3-methylmorpholin-4-yl]-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(OCCOP(=O)(O)O)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(OCCOP(=O)(O)O)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(OCCOP(=O)(O)O)nc(N2CCOC[C@H]2C)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCOP(=O)(O)O)nc(N2CCOC[C@H]2C)c1.

What is the InChIKey of 2-[[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[6-[(3R)-3-methylmorpholin-4-yl]-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate?

The InChIKey is BGYCLZFPCHBUHO-HCQPRZJMSA-N. The full InChI is InChI=1S/C27H31F2N4O7P.C27H32FN4O7P.C26H28F3N4O7P.C26H27F3N3O7P/c1-17-4-5-21(31-26(34)19-6-7-30-23(12-19)27(3,28)29)15-22(17)20-13-24(33-8-9-38-16-18(33)2)32-25(14-20)39-10-11-40-41(35,36)37;1-18-4-5-21(30-26(33)19-6-7-29-23(14-19)27(2,3)28)17-22(18)20-15-24(32-8-10-37-11-9-32)31-25(16-20)38-12-13-39-40(34,35)36;1-16-3-4-20(31-25(34)18-5-6-30-22(11-18)26(27,28)29)14-21(16)19-12-23(33-7-8-38-15-17(33)2)32-24(13-19)39-9-10-40-41(35,36)37;1-17-5-6-21(30-25(33)18-3-2-4-20(13-18)26(27,28)29)16-22(17)19-14-23(32-7-9-37-10-8-32)31-24(15-19)38-11-12-39-40(34,35)36/h4-7,12-15,18H,8-11,16H2,1-3H3,(H,31,34)(H2,35,36,37);4-7,14-17H,8-13H2,1-3H3,(H,30,33)(H2,34,35,36);3-6,11-14,17H,7-10,15H2,1-2H3,(H,31,34)(H2,35,36,37);2-6,13-16H,7-12H2,1H3,(H,30,33)(H2,34,35,36)/t18-;;17-;/m1.1./s1.

What are the key properties of 2-[[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[6-[(3R)-3-methylmorpholin-4-yl]-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate?

2-[[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[6-[(3R)-3-methylmorpholin-4-yl]-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate has a molecular weight of 2345.06 g/mol, XLogP of 17.85, 38 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[6-[(3R)-3-methylmorpholin-4-yl]-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]oxy]ethyl dihydrogen phosphate;2-[[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl dihydrogen phosphate is sourced from PubChem (CID 157345714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).