6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one

C149H163F5N30O6 — CID 159255871

About 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one

6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159255871) has the molecular formula C149H163F5N30O6 and a molecular weight of 2565.14 g/mol. Its IUPAC name is 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159255871
• Molecular Formula: C149H163F5N30O6
• Molecular Weight: 2565.14 g/mol
• Exact Mass: 2563.33
• IUPAC Name: 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2F)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CCCN2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CCN(C)C2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
• InChI: InChI=1S/2C31H37N7O.C30H31F3N6O.C29H30FN5O.C28H28FN5O2/c1-4-38-29-22(20-27(30(38)39)25-8-5-6-9-26(25)28-10-7-15-36(28)3)21-32-31(34-29)33-23-11-13-24(14-12-23)37-18-16-35(2)17-19-37;1-4-38-29-23(19-28(30(38)39)27-8-6-5-7-26(27)22-13-14-36(3)21-22)20-32-31(34-29)33-24-9-11-25(12-10-24)37-17-15-35(2)16-18-37;1-3-39-27-21(16-25(28(39)40)24-11-6-20(19-4-5-19)17-26(24)30(31,32)33)18-34-29(36-27)35-22-7-9-23(10-8-22)38-14-12-37(2)13-15-38;1-2-35-27-22(15-25(28(35)36)24-10-7-21(16-26(24)30)19-3-4-19)17-32-29(34-27)33-23-8-5-18(6-9-23)20-11-13-31-14-12-20;1-2-34-26-20(13-23(27(34)35)22-10-7-19(14-24(22)29)17-3-4-17)15-31-28(33-26)32-21-8-5-18(6-9-21)25-16-30-11-12-36-25/h5-6,8-9,11-14,20-21,28H,4,7,10,15-19H2,1-3H3,(H,32,33,34);5-12,19-20,22H,4,13-18,21H2,1-3H3,(H,32,33,34);6-11,16-19H,3-5,12-15H2,1-2H3,(H,34,35,36);5-10,15-17,19-20,31H,2-4,11-14H2,1H3,(H,32,33,34);5-10,13-15,17,25,30H,2-4,11-12,16H2,1H3,(H,31,32,33)
• InChIKey: KVWSQNVWPAASFM-UHFFFAOYSA-N
• XLogP: 25.61
• TPSA: 358.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2565.14
LogP ≤ 5	25.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

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-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 159255871) is 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2F)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CCCN2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CCN(C)C2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.

What is the InChIKey of 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is KVWSQNVWPAASFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H37N7O.C30H31F3N6O.C29H30FN5O.C28H28FN5O2/c1-4-38-29-22(20-27(30(38)39)25-8-5-6-9-26(25)28-10-7-15-36(28)3)21-32-31(34-29)33-23-11-13-24(14-12-23)37-18-16-35(2)17-19-37;1-4-38-29-23(19-28(30(38)39)27-8-6-5-7-26(27)22-13-14-36(3)21-22)20-32-31(34-29)33-24-9-11-25(12-10-24)37-17-15-35(2)16-18-37;1-3-39-27-21(16-25(28(39)40)24-11-6-20(19-4-5-19)17-26(24)30(31,32)33)18-34-29(36-27)35-22-7-9-23(10-8-22)38-14-12-37(2)13-15-38;1-2-35-27-22(15-25(28(35)36)24-10-7-21(16-26(24)30)19-3-4-19)17-32-29(34-27)33-23-8-5-18(6-9-23)20-11-13-31-14-12-20;1-2-34-26-20(13-23(27(34)35)22-10-7-19(14-24(22)29)17-3-4-17)15-31-28(33-26)32-21-8-5-18(6-9-21)25-16-30-11-12-36-25/h5-6,8-9,11-14,20-21,28H,4,7,10,15-19H2,1-3H3,(H,32,33,34);5-12,19-20,22H,4,13-18,21H2,1-3H3,(H,32,33,34);6-11,16-19H,3-5,12-15H2,1-2H3,(H,34,35,36);5-10,15-17,19-20,31H,2-4,11-14H2,1H3,(H,32,33,34);5-10,13-15,17,25,30H,2-4,11-12,16H2,1H3,(H,31,32,33).

What are the key properties of 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2565.14 g/mol, XLogP of 25.61, 30 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159255871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).