5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one

C53H43F6N11O10S — CID 159102710

About 5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one

5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159102710) has the molecular formula C53H43F6N11O10S and a molecular weight of 1140.05 g/mol. Its IUPAC name is 5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159102710
• Molecular Formula: C53H43F6N11O10S
• Molecular Weight: 1140.05 g/mol
• Exact Mass: 1139.28
• IUPAC Name: 5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1ncnc2c1c(NCc1ccc(C(F)(F)F)nc1)cc(=O)n2OCc1ccccc1.Cc1ncnc2c1c(O)cc(=O)n2OCc1ccccc1.Cc1ncnc2c1c(OS(=O)(=O)C(F)(F)F)cc(=O)n2OCc1ccccc1
• InChI: InChI=1S/C22H18F3N5O2.C16H12F3N3O5S.C15H13N3O3/c1-14-20-17(26-10-16-7-8-18(27-11-16)22(23,24)25)9-19(31)30(21(20)29-13-28-14)32-12-15-5-3-2-4-6-15;1-10-14-12(27-28(24,25)16(17,18)19)7-13(23)22(15(14)21-9-20-10)26-8-11-5-3-2-4-6-11;1-10-14-12(19)7-13(20)18(15(14)17-9-16-10)21-8-11-5-3-2-4-6-11/h2-9,11,13,26H,10,12H2,1H3;2-7,9H,8H2,1H3;2-7,9,19H,8H2,1H3
• InChIKey: KDMFNYMOTRJBRV-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 259.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1140.05
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one (CID 159102710) is 5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one is Cc1ncnc2c1c(NCc1ccc(C(F)(F)F)nc1)cc(=O)n2OCc1ccccc1.Cc1ncnc2c1c(O)cc(=O)n2OCc1ccccc1.Cc1ncnc2c1c(OS(=O)(=O)C(F)(F)F)cc(=O)n2OCc1ccccc1.

What is the InChIKey of 5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is KDMFNYMOTRJBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2.C16H12F3N3O5S.C15H13N3O3/c1-14-20-17(26-10-16-7-8-18(27-11-16)22(23,24)25)9-19(31)30(21(20)29-13-28-14)32-12-15-5-3-2-4-6-15;1-10-14-12(27-28(24,25)16(17,18)19)7-13(23)22(15(14)21-9-20-10)26-8-11-5-3-2-4-6-11;1-10-14-12(19)7-13(20)18(15(14)17-9-16-10)21-8-11-5-3-2-4-6-11/h2-9,11,13,26H,10,12H2,1H3;2-7,9H,8H2,1H3;2-7,9,19H,8H2,1H3.

What are the key properties of 5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one?

5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 1140.05 g/mol, XLogP of 7.15, 14 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159102710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).