4-anilino-5-hydroxy-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 4-anilino-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-chloro-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate

C60H50ClN11O13 — CID 158185647

About 4-anilino-5-hydroxy-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 4-anilino-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-chloro-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate

4-anilino-5-hydroxy-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 4-anilino-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-chloro-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 158185647) has the molecular formula C60H50ClN11O13 and a molecular weight of 1168.58 g/mol. Its IUPAC name is 4-anilino-5-hydroxy-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 4-anilino-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-chloro-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: 4-anilino-5-hydroxy-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 4-anilino-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-chloro-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
• PubChem CID: 158185647
• Molecular Formula: C60H50ClN11O13
• Molecular Weight: 1168.58 g/mol
• Exact Mass: 1167.33
• IUPAC Name: 4-anilino-5-hydroxy-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 4-anilino-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-chloro-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)c1c(O)c2c(Cl)ncnc2n(OCc2ccccc2)c1=O.CCOC(=O)c1c(O)c2c(Nc3ccccc3)ncnc2n(OCc2ccccc2)c1=O.O=c1cc(O)c2c(Nc3ccccc3)ncnc2n1OCc1ccccc1
• InChI: InChI=1S/C23H20N4O5.C20H16N4O3.C17H14ClN3O5/c1-2-31-23(30)18-19(28)17-20(26-16-11-7-4-8-12-16)24-14-25-21(17)27(22(18)29)32-13-15-9-5-3-6-10-15;25-16-11-17(26)24(27-12-14-7-3-1-4-8-14)20-18(16)19(21-13-22-20)23-15-9-5-2-6-10-15;1-2-25-17(24)12-13(22)11-14(18)19-9-20-15(11)21(16(12)23)26-8-10-6-4-3-5-7-10/h3-12,14,28H,2,13H2,1H3,(H,24,25,26);1-11,13,25H,12H2,(H,21,22,23);3-7,9,22H,2,8H2,1H3
• InChIKey: FZCLISSHNNVPTB-UHFFFAOYSA-N
• XLogP: 7.87
• TPSA: 308.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1168.58
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-anilino-5-hydroxy-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 4-anilino-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-chloro-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate?

The IUPAC name of 4-anilino-5-hydroxy-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 4-anilino-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-chloro-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate (CID 158185647) is 4-anilino-5-hydroxy-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 4-anilino-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-chloro-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate.

What is the SMILES notation for 4-anilino-5-hydroxy-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 4-anilino-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-chloro-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate?

The canonical SMILES for 4-anilino-5-hydroxy-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 4-anilino-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-chloro-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1c(O)c2c(Cl)ncnc2n(OCc2ccccc2)c1=O.CCOC(=O)c1c(O)c2c(Nc3ccccc3)ncnc2n(OCc2ccccc2)c1=O.O=c1cc(O)c2c(Nc3ccccc3)ncnc2n1OCc1ccccc1.

What is the InChIKey of 4-anilino-5-hydroxy-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 4-anilino-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-chloro-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate?

The InChIKey is FZCLISSHNNVPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5.C20H16N4O3.C17H14ClN3O5/c1-2-31-23(30)18-19(28)17-20(26-16-11-7-4-8-12-16)24-14-25-21(17)27(22(18)29)32-13-15-9-5-3-6-10-15;25-16-11-17(26)24(27-12-14-7-3-1-4-8-14)20-18(16)19(21-13-22-20)23-15-9-5-2-6-10-15;1-2-25-17(24)12-13(22)11-14(18)19-9-20-15(11)21(16(12)23)26-8-10-6-4-3-5-7-10/h3-12,14,28H,2,13H2,1H3,(H,24,25,26);1-11,13,25H,12H2,(H,21,22,23);3-7,9,22H,2,8H2,1H3.

What are the key properties of 4-anilino-5-hydroxy-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 4-anilino-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-chloro-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate?

4-anilino-5-hydroxy-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 4-anilino-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-chloro-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 1168.58 g/mol, XLogP of 7.87, 17 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-anilino-5-hydroxy-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 4-anilino-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-chloro-5-hydroxy-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 158185647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).