6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one)

C175H166Cl6FN39O7S5 — CID 159558311

About 6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one)

6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one) (PubChem CID 159558311) has the molecular formula C175H166Cl6FN39O7S5 and a molecular weight of 3319.57 g/mol. Its IUPAC name is 6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one).

Molecular Properties

• Compound Name: 6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one)
• PubChem CID: 159558311
• Molecular Formula: C175H166Cl6FN39O7S5
• Molecular Weight: 3319.57 g/mol
• Exact Mass: 3314.06
• IUPAC Name: 6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one)
• SMILES: CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CCn1c(=O)c(-c2ccc(C3=CCC=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)nc21
• InChI: InChI=1S/C32H34ClN7O.C29H28ClN7OS.2C29H27ClN6OS.C28H25ClFN7OS.C28H25ClN6O2S/c1-4-40-30-23(18-27(31(40)41)26-12-7-22(19-28(26)33)29-6-5-13-34-29)20-35-32(37-30)36-24-8-10-25(11-9-24)39-16-14-38(15-17-39)21(2)3;1-3-37-27-20(13-23(28(37)38)22-6-4-19(14-24(22)30)25-16-39-17-33-25)15-32-29(35-27)34-21-5-7-26(18(2)12-21)36-10-8-31-9-11-36;2*1-2-36-27-21(13-24(28(36)37)23-8-5-20(14-25(23)30)26-16-38-17-33-26)15-32-29(35-27)34-22-6-3-18(4-7-22)19-9-11-31-12-10-19;1-2-37-26-18(11-21(27(37)38)20-5-3-17(12-22(20)29)24-15-39-16-33-24)14-32-28(35-26)34-19-4-6-25(23(30)13-19)36-9-7-31-8-10-36;1-2-35-26-19(11-22(27(35)36)21-8-5-18(12-23(21)29)24-15-38-16-32-24)13-31-28(34-26)33-20-6-3-17(4-7-20)25-14-30-9-10-37-25/h6-13,18-21H,4-5,14-17H2,1-3H3,(H,35,36,37);4-7,12-17,31H,3,8-11H2,1-2H3,(H,32,34,35);2*3-8,13-17,19,31H,2,9-12H2,1H3,(H,32,34,35);3-6,11-16,31H,2,7-10H2,1H3,(H,32,34,35);3-8,11-13,15-16,25,30H,2,9-10,14H2,1H3,(H,31,33,34)
• InChIKey: MGGUQPKTEVFTCM-UHFFFAOYSA-N
• XLogP: 36.08
• TPSA: 518.01 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 51
• Rotatable Bonds: 37
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3319.57
LogP ≤ 5	36.08
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	51

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-(3H-pyrrol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one)?

The IUPAC name of 6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one) (CID 159558311) is 6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one).

What is the SMILES notation for 6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one)?

The canonical SMILES for 6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one) is CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CCn1c(=O)c(-c2ccc(C3=CCC=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)nc21.

What is the InChIKey of 6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one)?

The InChIKey is MGGUQPKTEVFTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClN7O.C29H28ClN7OS.2C29H27ClN6OS.C28H25ClFN7OS.C28H25ClN6O2S/c1-4-40-30-23(18-27(31(40)41)26-12-7-22(19-28(26)33)29-6-5-13-34-29)20-35-32(37-30)36-24-8-10-25(11-9-24)39-16-14-38(15-17-39)21(2)3;1-3-37-27-20(13-23(28(37)38)22-6-4-19(14-24(22)30)25-16-39-17-33-25)15-32-29(35-27)34-21-5-7-26(18(2)12-21)36-10-8-31-9-11-36;2*1-2-36-27-21(13-24(28(36)37)23-8-5-20(14-25(23)30)26-16-38-17-33-26)15-32-29(35-27)34-22-6-3-18(4-7-22)19-9-11-31-12-10-19;1-2-37-26-18(11-21(27(37)38)20-5-3-17(12-22(20)29)24-15-39-16-33-24)14-32-28(35-26)34-19-4-6-25(23(30)13-19)36-9-7-31-8-10-36;1-2-35-26-19(11-22(27(35)36)21-8-5-18(12-23(21)29)24-15-38-16-32-24)13-31-28(34-26)33-20-6-3-17(4-7-20)25-14-30-9-10-37-25/h6-13,18-21H,4-5,14-17H2,1-3H3,(H,35,36,37);4-7,12-17,31H,3,8-11H2,1-2H3,(H,32,34,35);2*3-8,13-17,19,31H,2,9-12H2,1H3,(H,32,34,35);3-6,11-16,31H,2,7-10H2,1H3,(H,32,34,35);3-8,11-13,15-16,25,30H,2,9-10,14H2,1H3,(H,31,33,34).

What are the key properties of 6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one)?

6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one) has a molecular weight of 3319.57 g/mol, XLogP of 36.08, 37 rotatable bonds, 11 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one) is sourced from PubChem (CID 159558311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).