6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)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-[4-(6-methoxy-3-pyridinyl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C124H127Cl2FN26O6S — CID 157098941

About 6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)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-[4-(6-methoxy-3-pyridinyl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)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-[4-(6-methoxy-3-pyridinyl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157098941) has the molecular formula C124H127Cl2FN26O6S and a molecular weight of 2199.53 g/mol. Its IUPAC name is 6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)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-[4-(6-methoxy-3-pyridinyl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)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-[4-(6-methoxy-3-pyridinyl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157098941
• Molecular Formula: C124H127Cl2FN26O6S
• Molecular Weight: 2199.53 g/mol
• Exact Mass: 2196.95
• IUPAC Name: 6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)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-[4-(6-methoxy-3-pyridinyl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(-c3ccc(OC)nc3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3ccccc3F)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2nc(C3CCCCC3)sc2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
• InChI: InChI=1S/C32H30ClFN6O.C32H33N7O2.C30H27ClN6O2.C30H37N7OS/c1-3-40-30-22(18-27(31(40)41)26-13-8-21(19-28(26)33)25-6-4-5-7-29(25)34)20-35-32(37-30)36-23-9-11-24(12-10-23)39-16-14-38(2)15-17-39;1-4-39-30-25(19-28(31(39)40)23-7-5-22(6-8-23)24-9-14-29(41-3)33-20-24)21-34-32(36-30)35-26-10-12-27(13-11-26)38-17-15-37(2)16-18-38;1-2-37-28-22(14-25(29(37)38)24-10-7-20(15-26(24)31)21-4-3-11-32-16-21)17-34-30(36-28)35-23-8-5-19(6-9-23)27-18-33-12-13-39-27;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/h4-13,18-20H,3,14-17H2,1-2H3,(H,35,36,37);5-14,19-21H,4,15-18H2,1-3H3,(H,34,35,36);3-11,14-17,27,33H,2,12-13,18H2,1H3,(H,34,35,36);10-13,18-19,21H,4-9,14-17H2,1-3H3,(H,31,32,34)
• InChIKey: AFNQPOOHJAAZAC-UHFFFAOYSA-N
• XLogP: 22.86
• TPSA: 327.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2199.53
LogP ≤ 5	22.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

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-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)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-[4-(6-methoxy-3-pyridinyl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)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-[4-(6-methoxy-3-pyridinyl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 157098941) is 6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)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-[4-(6-methoxy-3-pyridinyl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)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-[4-(6-methoxy-3-pyridinyl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)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-[4-(6-methoxy-3-pyridinyl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3ccc(OC)nc3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3ccccc3F)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2nc(C3CCCCC3)sc2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.

What is the InChIKey of 6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)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-[4-(6-methoxy-3-pyridinyl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is AFNQPOOHJAAZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClFN6O.C32H33N7O2.C30H27ClN6O2.C30H37N7OS/c1-3-40-30-22(18-27(31(40)41)26-13-8-21(19-28(26)33)25-6-4-5-7-29(25)34)20-35-32(37-30)36-23-9-11-24(12-10-23)39-16-14-38(2)15-17-39;1-4-39-30-25(19-28(31(39)40)23-7-5-22(6-8-23)24-9-14-29(41-3)33-20-24)21-34-32(36-30)35-26-10-12-27(13-11-26)38-17-15-37(2)16-18-38;1-2-37-28-22(14-25(29(37)38)24-10-7-20(15-26(24)31)21-4-3-11-32-16-21)17-34-30(36-28)35-23-8-5-19(6-9-23)27-18-33-12-13-39-27;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/h4-13,18-20H,3,14-17H2,1-2H3,(H,35,36,37);5-14,19-21H,4,15-18H2,1-3H3,(H,34,35,36);3-11,14-17,27,33H,2,12-13,18H2,1H3,(H,34,35,36);10-13,18-19,21H,4-9,14-17H2,1-3H3,(H,31,32,34).

What are the key properties of 6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)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-[4-(6-methoxy-3-pyridinyl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)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-[4-(6-methoxy-3-pyridinyl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2199.53 g/mol, XLogP of 22.86, 25 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)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-[4-(6-methoxy-3-pyridinyl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157098941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).