6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[4-chloro-6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one);6-[2-chloro-4-(1,3,4-thiadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C143H146Cl4N44O5S — CID 157050672

About 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[4-chloro-6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one);6-[2-chloro-4-(1,3,4-thiadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[4-chloro-6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one);6-[2-chloro-4-(1,3,4-thiadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157050672) has the molecular formula C143H146Cl4N44O5S and a molecular weight of 2734.92 g/mol. Its IUPAC name is 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[4-chloro-6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one);6-[2-chloro-4-(1,3,4-thiadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[4-chloro-6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one);6-[2-chloro-4-(1,3,4-thiadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157050672
• Molecular Formula: C143H146Cl4N44O5S
• Molecular Weight: 2734.92 g/mol
• Exact Mass: 2731.10
• IUPAC Name: 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[4-chloro-6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one);6-[2-chloro-4-(1,3,4-thiadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(-c3nncs3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)nc3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)nc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2cnc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2cnc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
• InChI: InChI=1S/2C29H30ClN9O.C29H31N9O.C28H28ClN9O.C28H27ClN8OS/c2*1-4-39-27-19(13-22(28(39)40)23-17-31-25(14-24(23)30)26-32-15-18(2)34-26)16-33-29(36-27)35-20-5-7-21(8-6-20)38-11-9-37(3)10-12-38;1-4-38-27-21(15-24(28(38)39)20-5-10-25(30-17-20)26-31-16-19(2)33-26)18-32-29(35-27)34-22-6-8-23(9-7-22)37-13-11-36(3)12-14-37;1-3-38-26-19(12-22(27(38)39)21-6-4-18(13-23(21)29)25-32-14-17(2)34-25)15-33-28(36-26)35-20-5-7-24(31-16-20)37-10-8-30-9-11-37;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/h2*5-8,13-14,16-17H,4,9-12,15H2,1-3H3,(H,33,35,36);5-10,15,17-18H,4,11-14,16H2,1-3H3,(H,32,34,35);4-7,12-13,15-16,30H,3,8-11,14H2,1-2H3,(H,33,35,36);4-9,14-17H,3,10-13H2,1-2H3,(H,30,32,33)
• InChIKey: AADYQPQGMCQCSK-UHFFFAOYSA-N
• XLogP: 21.12
• TPSA: 516.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 50
• Rotatable Bonds: 30
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2734.92
LogP ≤ 5	21.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	50

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-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[4-chloro-6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one);6-[2-chloro-4-(1,3,4-thiadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[4-chloro-6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one);6-[2-chloro-4-(1,3,4-thiadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 157050672) is 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[4-chloro-6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one);6-[2-chloro-4-(1,3,4-thiadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[4-chloro-6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one);6-[2-chloro-4-(1,3,4-thiadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[4-chloro-6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one);6-[2-chloro-4-(1,3,4-thiadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3nncs3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)nc3)nc21.CCn1c(=O)c(-c2ccc(C3=NCC(C)=N3)nc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2cnc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2cnc(C3=NCC(C)=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.

What is the InChIKey of 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[4-chloro-6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one);6-[2-chloro-4-(1,3,4-thiadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is AADYQPQGMCQCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H30ClN9O.C29H31N9O.C28H28ClN9O.C28H27ClN8OS/c2*1-4-39-27-19(13-22(28(39)40)23-17-31-25(14-24(23)30)26-32-15-18(2)34-26)16-33-29(36-27)35-20-5-7-21(8-6-20)38-11-9-37(3)10-12-38;1-4-38-27-21(15-24(28(38)39)20-5-10-25(30-17-20)26-31-16-19(2)33-26)18-32-29(35-27)34-22-6-8-23(9-7-22)37-13-11-36(3)12-14-37;1-3-38-26-19(12-22(27(38)39)21-6-4-18(13-23(21)29)25-32-14-17(2)34-25)15-33-28(36-26)35-20-5-7-24(31-16-20)37-10-8-30-9-11-37;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/h2*5-8,13-14,16-17H,4,9-12,15H2,1-3H3,(H,33,35,36);5-10,15,17-18H,4,11-14,16H2,1-3H3,(H,32,34,35);4-7,12-13,15-16,30H,3,8-11,14H2,1-2H3,(H,33,35,36);4-9,14-17H,3,10-13H2,1-2H3,(H,30,32,33).

What are the key properties of 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[4-chloro-6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one);6-[2-chloro-4-(1,3,4-thiadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[4-chloro-6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one);6-[2-chloro-4-(1,3,4-thiadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2734.92 g/mol, XLogP of 21.12, 30 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[4-chloro-6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one);6-[2-chloro-4-(1,3,4-thiadiazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[6-(5-methyl-4H-imidazol-2-yl)-3-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157050672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).