6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(2-hydroxy-2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-hydroxypropylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one

C115H116Cl5N27O12 — CID 158805718

About 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(2-hydroxy-2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-hydroxypropylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(2-hydroxy-2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-hydroxypropylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158805718) has the molecular formula C115H116Cl5N27O12 and a molecular weight of 2245.63 g/mol. Its IUPAC name is 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(2-hydroxy-2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-hydroxypropylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(2-hydroxy-2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-hydroxypropylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158805718
• Molecular Formula: C115H116Cl5N27O12
• Molecular Weight: 2245.63 g/mol
• Exact Mass: 2241.77
• IUPAC Name: 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(2-hydroxy-2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-hydroxypropylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(-c3ccccc3)cc2Cl)cc2cnc(NCCO)nc21.CCn1c(=O)c(-c2ccc(-c3ccccc3)cc2Cl)cc2cnc(NCCOC)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCC(C)(C)O)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCCC3CCNCC3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCCCO)nc21
• InChI: InChI=1S/C25H28ClN7O2.C24H23ClN4O2.C23H21ClN4O2.C22H23ClN6O3.C21H21ClN6O3/c1-3-33-23-18(14-29-25(31-23)28-11-8-16-6-9-27-10-7-16)12-20(24(33)34)19-5-4-17(13-21(19)26)22-30-15(2)35-32-22;1-3-29-22-18(15-27-24(28-22)26-11-12-31-2)13-20(23(29)30)19-10-9-17(14-21(19)25)16-7-5-4-6-8-16;1-2-28-21-17(14-26-23(27-21)25-10-11-29)12-19(22(28)30)18-9-8-16(13-20(18)24)15-6-4-3-5-7-15;1-5-29-19-14(10-24-21(27-19)25-11-22(3,4)31)8-16(20(29)30)15-7-6-13(9-17(15)23)18-26-12(2)32-28-18;1-3-28-19-14(11-24-21(26-19)23-7-4-8-29)9-16(20(28)30)15-6-5-13(10-17(15)22)18-25-12(2)31-27-18/h4-5,12-14,16,27H,3,6-11H2,1-2H3,(H,28,29,31);4-10,13-15H,3,11-12H2,1-2H3,(H,26,27,28);3-9,12-14,29H,2,10-11H2,1H3,(H,25,26,27);6-10,31H,5,11H2,1-4H3,(H,24,25,27);5-6,9-11,29H,3-4,7-8H2,1-2H3,(H,23,24,26)
• InChIKey: IUAZNKPCWBPBSC-UHFFFAOYSA-N
• XLogP: 20.31
• TPSA: 497.76 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 33
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2245.63
LogP ≤ 5	20.31
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(2-hydroxy-2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-hydroxypropylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(2-hydroxy-2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-hydroxypropylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one (CID 158805718) is 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(2-hydroxy-2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-hydroxypropylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(2-hydroxy-2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-hydroxypropylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(2-hydroxy-2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-hydroxypropylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3ccccc3)cc2Cl)cc2cnc(NCCO)nc21.CCn1c(=O)c(-c2ccc(-c3ccccc3)cc2Cl)cc2cnc(NCCOC)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCC(C)(C)O)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCCC3CCNCC3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCCCO)nc21.

What is the InChIKey of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(2-hydroxy-2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-hydroxypropylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is IUAZNKPCWBPBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN7O2.C24H23ClN4O2.C23H21ClN4O2.C22H23ClN6O3.C21H21ClN6O3/c1-3-33-23-18(14-29-25(31-23)28-11-8-16-6-9-27-10-7-16)12-20(24(33)34)19-5-4-17(13-21(19)26)22-30-15(2)35-32-22;1-3-29-22-18(15-27-24(28-22)26-11-12-31-2)13-20(23(29)30)19-10-9-17(14-21(19)25)16-7-5-4-6-8-16;1-2-28-21-17(14-26-23(27-21)25-10-11-29)12-19(22(28)30)18-9-8-16(13-20(18)24)15-6-4-3-5-7-15;1-5-29-19-14(10-24-21(27-19)25-11-22(3,4)31)8-16(20(29)30)15-7-6-13(9-17(15)23)18-26-12(2)32-28-18;1-3-28-19-14(11-24-21(26-19)23-7-4-8-29)9-16(20(28)30)15-6-5-13(10-17(15)22)18-25-12(2)31-27-18/h4-5,12-14,16,27H,3,6-11H2,1-2H3,(H,28,29,31);4-10,13-15H,3,11-12H2,1-2H3,(H,26,27,28);3-9,12-14,29H,2,10-11H2,1H3,(H,25,26,27);6-10,31H,5,11H2,1-4H3,(H,24,25,27);5-6,9-11,29H,3-4,7-8H2,1-2H3,(H,23,24,26).

What are the key properties of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(2-hydroxy-2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-hydroxypropylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(2-hydroxy-2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-hydroxypropylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2245.63 g/mol, XLogP of 20.31, 33 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[(2-hydroxy-2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(3-hydroxypropylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158805718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).