6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-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;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one

C122H128ClN27O6S — CID 159524918

About 6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-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;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)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-(4-cyclopenta-1,4-dien-1-ylphenyl)-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;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159524918) has the molecular formula C122H128ClN27O6S and a molecular weight of 2136.07 g/mol. Its IUPAC name is 6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-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;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-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;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159524918
• Molecular Formula: C122H128ClN27O6S
• Molecular Weight: 2136.07 g/mol
• Exact Mass: 2134.00
• IUPAC Name: 6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-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;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)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(-c3cccnc3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=CCC=C3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2nc(C3CCNCC3)sc2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
• InChI: InChI=1S/C32H33N7O2.C31H32N6O.C30H27ClN6O2.C29H36N8OS/c1-4-39-30-25(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;1-3-37-29-25(20-28(30(37)38)24-10-8-23(9-11-24)22-6-4-5-7-22)21-32-31(34-29)33-26-12-14-27(15-13-26)36-18-16-35(2)17-19-36;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;1-4-37-26-21(17-24(28(37)38)25-19(2)39-27(33-25)20-9-11-30-12-10-20)18-31-29(34-26)32-22-5-7-23(8-6-22)36-15-13-35(3)14-16-36/h5-14,19-21H,4,15-18H2,1-3H3,(H,34,35,36);4,6-15,20-21H,3,5,16-19H2,1-2H3,(H,32,33,34);3-11,14-17,27,33H,2,12-13,18H2,1H3,(H,34,35,36);5-8,17-18,20,30H,4,9-16H2,1-3H3,(H,31,32,34)
• InChIKey: MCGPDOVRSRPXKZ-UHFFFAOYSA-N
• XLogP: 20.17
• TPSA: 339.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2136.07
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

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-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-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;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-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;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one (CID 159524918) is 6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-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;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-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;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-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;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)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(-c3cccnc3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=CCC=C3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2nc(C3CCNCC3)sc2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.

What is the InChIKey of 6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-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;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is MCGPDOVRSRPXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7O2.C31H32N6O.C30H27ClN6O2.C29H36N8OS/c1-4-39-30-25(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;1-3-37-29-25(20-28(30(37)38)24-10-8-23(9-11-24)22-6-4-5-7-22)21-32-31(34-29)33-26-12-14-27(15-13-26)36-18-16-35(2)17-19-36;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;1-4-37-26-21(17-24(28(37)38)25-19(2)39-27(33-25)20-9-11-30-12-10-20)18-31-29(34-26)32-22-5-7-23(8-6-22)36-15-13-35(3)14-16-36/h5-14,19-21H,4,15-18H2,1-3H3,(H,34,35,36);4,6-15,20-21H,3,5,16-19H2,1-2H3,(H,32,33,34);3-11,14-17,27,33H,2,12-13,18H2,1H3,(H,34,35,36);5-8,17-18,20,30H,4,9-16H2,1-3H3,(H,31,32,34).

What are the key properties of 6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-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;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)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-(4-cyclopenta-1,4-dien-1-ylphenyl)-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;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2136.07 g/mol, XLogP of 20.17, 25 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-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;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159524918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).