6-[2-(1-acetylpiperidin-4-yl)-5-methyl-1,3-thiazol-4-yl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C149H169Cl2N37O7S4 — CID 158192067

About 6-[2-(1-acetylpiperidin-4-yl)-5-methyl-1,3-thiazol-4-yl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[2-(1-acetylpiperidin-4-yl)-5-methyl-1,3-thiazol-4-yl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158192067) has the molecular formula C149H169Cl2N37O7S4 and a molecular weight of 2789.42 g/mol. Its IUPAC name is 6-[2-(1-acetylpiperidin-4-yl)-5-methyl-1,3-thiazol-4-yl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-(1-acetylpiperidin-4-yl)-5-methyl-1,3-thiazol-4-yl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158192067
• Molecular Formula: C149H169Cl2N37O7S4
• Molecular Weight: 2789.42 g/mol
• Exact Mass: 2786.23
• IUPAC Name: 6-[2-(1-acetylpiperidin-4-yl)-5-methyl-1,3-thiazol-4-yl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(-c3cccs3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3nnco3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2nc(C3CCCCC3)sc2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2nc(C3CCN(C(C)=O)CC3)sc2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2nc(C3CCN(C)CC3)sc2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
• InChI: InChI=1S/C31H38N8O2S.C30H29ClN6OS.C30H38N8OS.C30H37N7OS.C28H27ClN8O2/c1-5-39-28-23(19-32-31(35-28)33-24-6-8-25(9-7-24)38-16-14-36(4)15-17-38)18-26(30(39)41)27-20(2)42-29(34-27)22-10-12-37(13-11-22)21(3)40;1-3-37-28-21(17-25(29(37)38)24-11-6-20(18-26(24)31)27-5-4-16-39-27)19-32-30(34-28)33-22-7-9-23(10-8-22)36-14-12-35(2)13-15-36;1-5-38-27-22(18-25(29(38)39)26-20(2)40-28(33-26)21-10-12-35(3)13-11-21)19-31-30(34-27)32-23-6-8-24(9-7-23)37-16-14-36(4)15-17-37;1-4-37-27-22(18-25(29(37)38)26-20(2)39-28(33-26)21-8-6-5-7-9-21)19-31-30(34-27)32-23-10-12-24(13-11-23)36-16-14-35(3)15-17-36;1-3-37-25-19(14-23(27(37)38)22-9-4-18(15-24(22)29)26-34-31-17-39-26)16-30-28(33-25)32-20-5-7-21(8-6-20)36-12-10-35(2)11-13-36/h6-9,18-19,22H,5,10-17H2,1-4H3,(H,32,33,35);4-11,16-19H,3,12-15H2,1-2H3,(H,32,33,34);6-9,18-19,21H,5,10-17H2,1-4H3,(H,31,32,34);10-13,18-19,21H,4-9,14-17H2,1-3H3,(H,31,32,34);4-9,14-17H,3,10-13H2,1-2H3,(H,30,32,33)
• InChIKey: FZWNQIYKVNKECC-UHFFFAOYSA-N
• XLogP: 25.83
• TPSA: 432.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 47
• Rotatable Bonds: 30
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2789.42
LogP ≤ 5	25.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-acetylpiperidin-4-yl)-5-methyl-1,3-thiazol-4-yl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-(1-acetylpiperidin-4-yl)-5-methyl-1,3-thiazol-4-yl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 158192067) is 6-[2-(1-acetylpiperidin-4-yl)-5-methyl-1,3-thiazol-4-yl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-(1-acetylpiperidin-4-yl)-5-methyl-1,3-thiazol-4-yl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-(1-acetylpiperidin-4-yl)-5-methyl-1,3-thiazol-4-yl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3cccs3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3nnco3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2nc(C3CCCCC3)sc2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2nc(C3CCN(C(C)=O)CC3)sc2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2nc(C3CCN(C)CC3)sc2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.

What is the InChIKey of 6-[2-(1-acetylpiperidin-4-yl)-5-methyl-1,3-thiazol-4-yl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is FZWNQIYKVNKECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N8O2S.C30H29ClN6OS.C30H38N8OS.C30H37N7OS.C28H27ClN8O2/c1-5-39-28-23(19-32-31(35-28)33-24-6-8-25(9-7-24)38-16-14-36(4)15-17-38)18-26(30(39)41)27-20(2)42-29(34-27)22-10-12-37(13-11-22)21(3)40;1-3-37-28-21(17-25(29(37)38)24-11-6-20(18-26(24)31)27-5-4-16-39-27)19-32-30(34-28)33-22-7-9-23(10-8-22)36-14-12-35(2)13-15-36;1-5-38-27-22(18-25(29(38)39)26-20(2)40-28(33-26)21-10-12-35(3)13-11-21)19-31-30(34-27)32-23-6-8-24(9-7-23)37-16-14-36(4)15-17-37;1-4-37-27-22(18-25(29(37)38)26-20(2)39-28(33-26)21-8-6-5-7-9-21)19-31-30(34-27)32-23-10-12-24(13-11-23)36-16-14-35(3)15-17-36;1-3-37-25-19(14-23(27(37)38)22-9-4-18(15-24(22)29)26-34-31-17-39-26)16-30-28(33-25)32-20-5-7-21(8-6-20)36-12-10-35(2)11-13-36/h6-9,18-19,22H,5,10-17H2,1-4H3,(H,32,33,35);4-11,16-19H,3,12-15H2,1-2H3,(H,32,33,34);6-9,18-19,21H,5,10-17H2,1-4H3,(H,31,32,34);10-13,18-19,21H,4-9,14-17H2,1-3H3,(H,31,32,34);4-9,14-17H,3,10-13H2,1-2H3,(H,30,32,33).

What are the key properties of 6-[2-(1-acetylpiperidin-4-yl)-5-methyl-1,3-thiazol-4-yl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-[2-(1-acetylpiperidin-4-yl)-5-methyl-1,3-thiazol-4-yl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2789.42 g/mol, XLogP of 25.83, 30 rotatable bonds, 5 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(1-acetylpiperidin-4-yl)-5-methyl-1,3-thiazol-4-yl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158192067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).