4-(6-amino-3-pyridinyl)morpholin-3-one;6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine;4-[6-[[4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one

C44H43ClF2N16O4 — CID 167652100

About 4-(6-amino-3-pyridinyl)morpholin-3-one;6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine;4-[6-[[4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one

4-(6-amino-3-pyridinyl)morpholin-3-one;6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine;4-[6-[[4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one (PubChem CID 167652100) has the molecular formula C44H43ClF2N16O4 and a molecular weight of 933.38 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)morpholin-3-one;6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine;4-[6-[[4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one.

Molecular Properties

• Compound Name: 4-(6-amino-3-pyridinyl)morpholin-3-one;6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine;4-[6-[[4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one
• PubChem CID: 167652100
• Molecular Formula: C44H43ClF2N16O4
• Molecular Weight: 933.38 g/mol
• Exact Mass: 932.33
• IUPAC Name: 4-(6-amino-3-pyridinyl)morpholin-3-one;6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine;4-[6-[[4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one
• SMILES: CC(C)n1cnc2c(F)nc(-c3ccnc(Cl)n3)cc21.CC(C)n1cnc2c(F)nc(-c3ccnc(Nc4ccc(N5CCOCC5=O)cn4)n3)cc21.Nc1ccc(N2CCOCC2=O)cn1
• InChI: InChI=1S/C22H21FN8O2.C13H11ClFN5.C9H11N3O2/c1-13(2)31-12-26-20-17(31)9-16(27-21(20)23)15-5-6-24-22(28-15)29-18-4-3-14(10-25-18)30-7-8-33-11-19(30)32;1-7(2)20-6-17-11-10(20)5-9(18-12(11)15)8-3-4-16-13(14)19-8;10-8-2-1-7(5-11-8)12-3-4-14-6-9(12)13/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,24,25,28,29);3-7H,1-2H3;1-2,5H,3-4,6H2,(H2,10,11)
• InChIKey: QSOYQGQXBCEDFJ-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 235.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	933.38
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-pyridinyl)morpholin-3-one;6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine;4-[6-[[4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one?

The IUPAC name of 4-(6-amino-3-pyridinyl)morpholin-3-one;6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine;4-[6-[[4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one (CID 167652100) is 4-(6-amino-3-pyridinyl)morpholin-3-one;6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine;4-[6-[[4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one.

What is the SMILES notation for 4-(6-amino-3-pyridinyl)morpholin-3-one;6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine;4-[6-[[4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one?

The canonical SMILES for 4-(6-amino-3-pyridinyl)morpholin-3-one;6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine;4-[6-[[4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one is CC(C)n1cnc2c(F)nc(-c3ccnc(Cl)n3)cc21.CC(C)n1cnc2c(F)nc(-c3ccnc(Nc4ccc(N5CCOCC5=O)cn4)n3)cc21.Nc1ccc(N2CCOCC2=O)cn1.

What is the InChIKey of 4-(6-amino-3-pyridinyl)morpholin-3-one;6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine;4-[6-[[4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one?

The InChIKey is QSOYQGQXBCEDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN8O2.C13H11ClFN5.C9H11N3O2/c1-13(2)31-12-26-20-17(31)9-16(27-21(20)23)15-5-6-24-22(28-15)29-18-4-3-14(10-25-18)30-7-8-33-11-19(30)32;1-7(2)20-6-17-11-10(20)5-9(18-12(11)15)8-3-4-16-13(14)19-8;10-8-2-1-7(5-11-8)12-3-4-14-6-9(12)13/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,24,25,28,29);3-7H,1-2H3;1-2,5H,3-4,6H2,(H2,10,11).

What are the key properties of 4-(6-amino-3-pyridinyl)morpholin-3-one;6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine;4-[6-[[4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one?

4-(6-amino-3-pyridinyl)morpholin-3-one;6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine;4-[6-[[4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one has a molecular weight of 933.38 g/mol, XLogP of 6.40, 8 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-amino-3-pyridinyl)morpholin-3-one;6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine;4-[6-[[4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one is sourced from PubChem (CID 167652100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).