6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylacetamide;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-methylacetamide;N-[3-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propyl]acetamide;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-(oxan-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

C117H120Cl5N33O16 — CID 160667051

About 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylacetamide;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-methylacetamide;N-[3-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propyl]acetamide;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-(oxan-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylacetamide;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-methylacetamide;N-[3-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propyl]acetamide;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-(oxan-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160667051) has the molecular formula C117H120Cl5N33O16 and a molecular weight of 2421.73 g/mol. Its IUPAC name is 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylacetamide;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-methylacetamide;N-[3-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propyl]acetamide;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-(oxan-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylacetamide;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-methylacetamide;N-[3-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propyl]acetamide;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-(oxan-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160667051
• Molecular Formula: C117H120Cl5N33O16
• Molecular Weight: 2421.73 g/mol
• Exact Mass: 2417.80
• IUPAC Name: 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylacetamide;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-methylacetamide;N-[3-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propyl]acetamide;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-(oxan-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NC3CCOC(C)(C)C3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCC(=O)N(C)C)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCC(=O)NC)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCCCNC(C)=O)nc21.Cc1nc(-c2ccc(-c3cc4cnc(NC5CCOCC5)nc4n(C4CCOCC4)c3=O)c(Cl)c2)no1
• InChI: InChI=1S/C26H27ClN6O4.C25H27ClN6O3.C23H24ClN7O3.C22H22ClN7O3.C21H20ClN7O3/c1-15-29-23(32-37-15)16-2-3-20(22(27)13-16)21-12-17-14-28-26(30-18-4-8-35-9-5-18)31-24(17)33(25(21)34)19-6-10-36-11-7-19;1-5-32-22-16(13-27-24(30-22)29-17-8-9-34-25(3,4)12-17)10-19(23(32)33)18-7-6-15(11-20(18)26)21-28-14(2)35-31-21;1-4-31-21-16(12-27-23(29-21)26-9-5-8-25-13(2)32)10-18(22(31)33)17-7-6-15(11-19(17)24)20-28-14(3)34-30-20;1-5-30-20-14(10-24-22(27-20)25-11-18(31)29(3)4)8-16(21(30)32)15-7-6-13(9-17(15)23)19-26-12(2)33-28-19;1-4-29-19-13(9-24-21(27-19)25-10-17(30)23-3)7-15(20(29)31)14-6-5-12(8-16(14)22)18-26-11(2)32-28-18/h2-3,12-14,18-19H,4-11H2,1H3,(H,28,30,31);6-7,10-11,13,17H,5,8-9,12H2,1-4H3,(H,27,29,30);6-7,10-12H,4-5,8-9H2,1-3H3,(H,25,32)(H,26,27,29);6-10H,5,11H2,1-4H3,(H,24,25,27);5-9H,4,10H2,1-3H3,(H,23,30)(H,24,25,27)
• InChIKey: RMLCHEQZTASRIH-UHFFFAOYSA-N
• XLogP: 18.34
• TPSA: 599.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 46
• Rotatable Bonds: 30
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2421.73
LogP ≤ 5	18.34
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	46

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]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylacetamide;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-methylacetamide;N-[3-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propyl]acetamide;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-(oxan-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylacetamide;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-methylacetamide;N-[3-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propyl]acetamide;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-(oxan-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 160667051) is 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylacetamide;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-methylacetamide;N-[3-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propyl]acetamide;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-(oxan-4-yl)-2-(oxan-4-ylamino)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]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylacetamide;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-methylacetamide;N-[3-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propyl]acetamide;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-(oxan-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylacetamide;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-methylacetamide;N-[3-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propyl]acetamide;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-(oxan-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NC3CCOC(C)(C)C3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCC(=O)N(C)C)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCC(=O)NC)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(NCCCNC(C)=O)nc21.Cc1nc(-c2ccc(-c3cc4cnc(NC5CCOCC5)nc4n(C4CCOCC4)c3=O)c(Cl)c2)no1.

What is the InChIKey of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylacetamide;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-methylacetamide;N-[3-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propyl]acetamide;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-(oxan-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is RMLCHEQZTASRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O4.C25H27ClN6O3.C23H24ClN7O3.C22H22ClN7O3.C21H20ClN7O3/c1-15-29-23(32-37-15)16-2-3-20(22(27)13-16)21-12-17-14-28-26(30-18-4-8-35-9-5-18)31-24(17)33(25(21)34)19-6-10-36-11-7-19;1-5-32-22-16(13-27-24(30-22)29-17-8-9-34-25(3,4)12-17)10-19(23(32)33)18-7-6-15(11-20(18)26)21-28-14(2)35-31-21;1-4-31-21-16(12-27-23(29-21)26-9-5-8-25-13(2)32)10-18(22(31)33)17-7-6-15(11-19(17)24)20-28-14(3)34-30-20;1-5-30-20-14(10-24-22(27-20)25-11-18(31)29(3)4)8-16(21(30)32)15-7-6-13(9-17(15)23)19-26-12(2)33-28-19;1-4-29-19-13(9-24-21(27-19)25-10-17(30)23-3)7-15(20(29)31)14-6-5-12(8-16(14)22)18-26-11(2)32-28-18/h2-3,12-14,18-19H,4-11H2,1H3,(H,28,30,31);6-7,10-11,13,17H,5,8-9,12H2,1-4H3,(H,27,29,30);6-7,10-12H,4-5,8-9H2,1-3H3,(H,25,32)(H,26,27,29);6-10H,5,11H2,1-4H3,(H,24,25,27);5-9H,4,10H2,1-3H3,(H,23,30)(H,24,25,27).

What are the key properties of 6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylacetamide;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-methylacetamide;N-[3-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propyl]acetamide;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-(oxan-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylacetamide;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-methylacetamide;N-[3-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propyl]acetamide;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-(oxan-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2421.73 g/mol, XLogP of 18.34, 30 rotatable bonds, 7 hydrogen bond donors, and 46 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]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylacetamide;2-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-methylacetamide;N-[3-[[6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propyl]acetamide;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-(oxan-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160667051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).