N-[5-[[(2R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-[2-(2-methylaziridin-1-yl)ethyl]morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(5,5,5-trifluoropentyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;1-[2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethyl]-3-methylazetidin-3-ol

C125H150F13N31O5 — CID 165095341

About N-[5-[[(2R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-[2-(2-methylaziridin-1-yl)ethyl]morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(5,5,5-trifluoropentyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;1-[2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethyl]-3-methylazetidin-3-ol

N-[5-[[(2R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-[2-(2-methylaziridin-1-yl)ethyl]morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(5,5,5-trifluoropentyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;1-[2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethyl]-3-methylazetidin-3-ol (PubChem CID 165095341) has the molecular formula C125H150F13N31O5 and a molecular weight of 2413.76 g/mol. Its IUPAC name is N-[5-[[(2R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-[2-(2-methylaziridin-1-yl)ethyl]morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(5,5,5-trifluoropentyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;1-[2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethyl]-3-methylazetidin-3-ol.

Molecular Properties

• Compound Name: N-[5-[[(2R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-[2-(2-methylaziridin-1-yl)ethyl]morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(5,5,5-trifluoropentyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;1-[2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethyl]-3-methylazetidin-3-ol
• PubChem CID: 165095341
• Molecular Formula: C125H150F13N31O5
• Molecular Weight: 2413.76 g/mol
• Exact Mass: 2412.22
• IUPAC Name: N-[5-[[(2R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-[2-(2-methylaziridin-1-yl)ethyl]morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(5,5,5-trifluoropentyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;1-[2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethyl]-3-methylazetidin-3-ol
• SMILES: Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CCCCC(F)(F)F)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CCN6CC(C)(O)C6)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CCN6CC(F)(F)C6)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CCN6CC6C)C5)cn4)ncc3F)cc2n1C(C)C
• InChI: InChI=1S/C32H40F2N8O2.C31H36F5N7O.C31H36F4N8O.C31H38F2N8O/c1-20(2)42-21(3)37-29-24(33)12-23(13-26(29)42)28-25(34)15-36-30(39-28)38-27-7-6-22(14-35-27)16-40-10-11-44-32(5,19-40)8-9-41-17-31(4,43)18-41;1-19(2)43-20(3)39-28-23(32)13-22(14-25(28)43)27-24(33)16-38-29(41-27)40-26-8-7-21(15-37-26)17-42-11-12-44-30(4,18-42)9-5-6-10-31(34,35)36;1-19(2)43-20(3)38-28-23(32)11-22(12-25(28)43)27-24(33)14-37-29(40-27)39-26-6-5-21(13-36-26)15-41-9-10-44-30(4,16-41)7-8-42-17-31(34,35)18-42;1-19(2)41-21(4)36-29-24(32)12-23(13-26(29)41)28-25(33)15-35-30(38-28)37-27-7-6-22(14-34-27)17-39-10-11-42-31(5,18-39)8-9-40-16-20(40)3/h6-7,12-15,20,43H,8-11,16-19H2,1-5H3,(H,35,36,38,39);7-8,13-16,19H,5-6,9-12,17-18H2,1-4H3,(H,37,38,40,41);5-6,11-14,19H,7-10,15-18H2,1-4H3,(H,36,37,39,40);6-7,12-15,19-20H,8-11,16-18H2,1-5H3,(H,34,35,37,38)/t32-;2*30-;20?,31-,40?/m1111/s1
• InChIKey: XKDGVJQAXZICNE-IFFBBSMLSA-N
• XLogP: 23.58
• TPSA: 353.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 37
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2413.76
LogP ≤ 5	23.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-[2-(2-methylaziridin-1-yl)ethyl]morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(5,5,5-trifluoropentyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;1-[2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethyl]-3-methylazetidin-3-ol?

The IUPAC name of N-[5-[[(2R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-[2-(2-methylaziridin-1-yl)ethyl]morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(5,5,5-trifluoropentyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;1-[2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethyl]-3-methylazetidin-3-ol (CID 165095341) is N-[5-[[(2R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-[2-(2-methylaziridin-1-yl)ethyl]morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(5,5,5-trifluoropentyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;1-[2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethyl]-3-methylazetidin-3-ol.

What is the SMILES notation for N-[5-[[(2R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-[2-(2-methylaziridin-1-yl)ethyl]morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(5,5,5-trifluoropentyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;1-[2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethyl]-3-methylazetidin-3-ol?

The canonical SMILES for N-[5-[[(2R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-[2-(2-methylaziridin-1-yl)ethyl]morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(5,5,5-trifluoropentyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;1-[2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethyl]-3-methylazetidin-3-ol is Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CCCCC(F)(F)F)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CCN6CC(C)(O)C6)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CCN6CC(F)(F)C6)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCO[C@](C)(CCN6CC6C)C5)cn4)ncc3F)cc2n1C(C)C.

What is the InChIKey of N-[5-[[(2R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-[2-(2-methylaziridin-1-yl)ethyl]morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(5,5,5-trifluoropentyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;1-[2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethyl]-3-methylazetidin-3-ol?

The InChIKey is XKDGVJQAXZICNE-IFFBBSMLSA-N. The full InChI is InChI=1S/C32H40F2N8O2.C31H36F5N7O.C31H36F4N8O.C31H38F2N8O/c1-20(2)42-21(3)37-29-24(33)12-23(13-26(29)42)28-25(34)15-36-30(39-28)38-27-7-6-22(14-35-27)16-40-10-11-44-32(5,19-40)8-9-41-17-31(4,43)18-41;1-19(2)43-20(3)39-28-23(32)13-22(14-25(28)43)27-24(33)16-38-29(41-27)40-26-8-7-21(15-37-26)17-42-11-12-44-30(4,18-42)9-5-6-10-31(34,35)36;1-19(2)43-20(3)38-28-23(32)11-22(12-25(28)43)27-24(33)14-37-29(40-27)39-26-6-5-21(13-36-26)15-41-9-10-44-30(4,16-41)7-8-42-17-31(34,35)18-42;1-19(2)41-21(4)36-29-24(32)12-23(13-26(29)41)28-25(33)15-35-30(38-28)37-27-7-6-22(14-34-27)17-39-10-11-42-31(5,18-39)8-9-40-16-20(40)3/h6-7,12-15,20,43H,8-11,16-19H2,1-5H3,(H,35,36,38,39);7-8,13-16,19H,5-6,9-12,17-18H2,1-4H3,(H,37,38,40,41);5-6,11-14,19H,7-10,15-18H2,1-4H3,(H,36,37,39,40);6-7,12-15,19-20H,8-11,16-18H2,1-5H3,(H,34,35,37,38)/t32-;2*30-;20?,31-,40?/m1111/s1.

What are the key properties of N-[5-[[(2R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-[2-(2-methylaziridin-1-yl)ethyl]morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(5,5,5-trifluoropentyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;1-[2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethyl]-3-methylazetidin-3-ol?

N-[5-[[(2R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-[2-(2-methylaziridin-1-yl)ethyl]morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(5,5,5-trifluoropentyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;1-[2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethyl]-3-methylazetidin-3-ol has a molecular weight of 2413.76 g/mol, XLogP of 23.58, 37 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[(2R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-[2-(2-methylaziridin-1-yl)ethyl]morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(5,5,5-trifluoropentyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;1-[2-[(2R)-4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2-methylmorpholin-2-yl]ethyl]-3-methylazetidin-3-ol is sourced from PubChem (CID 165095341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).