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

C147H155ClF5N27O6 — CID 160923258

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

6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160923258) has the molecular formula C147H155ClF5N27O6 and a molecular weight of 2526.48 g/mol. Its IUPAC name is 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160923258
• Molecular Formula: C147H155ClF5N27O6
• Molecular Weight: 2526.48 g/mol
• Exact Mass: 2524.23
• IUPAC Name: 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2F)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2F)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CCCC2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
• InChI: InChI=1S/C31H36N6O.C29H30ClN5O.C29H28F3N5O2.C29H31FN6O.C29H30FN5O/c1-3-37-29-23(20-28(30(37)38)27-11-7-6-10-26(27)22-8-4-5-9-22)21-32-31(34-29)33-24-12-14-25(15-13-24)36-18-16-35(2)17-19-36;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;1-2-37-26-20(13-23(27(37)38)22-10-7-19(17-3-4-17)14-24(22)29(30,31)32)15-34-28(36-26)35-21-8-5-18(6-9-21)25-16-33-11-12-39-25;1-3-36-27-21(16-25(28(36)37)24-11-6-20(17-26(24)30)19-4-5-19)18-31-29(33-27)32-22-7-9-23(10-8-22)35-14-12-34(2)13-15-35;1-2-35-27-22(14-25(28(35)36)24-12-9-20(15-26(24)30)18-5-6-18)17-32-29(34-27)33-23-10-7-19(8-11-23)21-4-3-13-31-16-21/h6-7,10-15,20-22H,3-5,8-9,16-19H2,1-2H3,(H,32,33,34);5-10,15-17,19-20,31H,2-4,11-14H2,1H3,(H,32,33,34);5-10,13-15,17,25,33H,2-4,11-12,16H2,1H3,(H,34,35,36);6-11,16-19H,3-5,12-15H2,1-2H3,(H,31,32,33);7-12,14-15,17-18,21,31H,2-6,13,16H2,1H3,(H,32,33,34)
• InChIKey: SSHPCRIBYNDPQV-UHFFFAOYSA-N
• XLogP: 28.33
• TPSA: 357.33 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2526.48
LogP ≤ 5	28.33
H-Bond Donors ≤ 5	8
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-cyclopropylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 160923258) is 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

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

The canonical SMILES for 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2F)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2F)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CCCC2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.

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

The InChIKey is SSHPCRIBYNDPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O.C29H30ClN5O.C29H28F3N5O2.C29H31FN6O.C29H30FN5O/c1-3-37-29-23(20-28(30(37)38)27-11-7-6-10-26(27)22-8-4-5-9-22)21-32-31(34-29)33-24-12-14-25(15-13-24)36-18-16-35(2)17-19-36;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;1-2-37-26-20(13-23(27(37)38)22-10-7-19(17-3-4-17)14-24(22)29(30,31)32)15-34-28(36-26)35-21-8-5-18(6-9-21)25-16-33-11-12-39-25;1-3-36-27-21(16-25(28(36)37)24-11-6-20(17-26(24)30)19-4-5-19)18-31-29(33-27)32-22-7-9-23(10-8-22)35-14-12-34(2)13-15-35;1-2-35-27-22(14-25(28(35)36)24-12-9-20(15-26(24)30)18-5-6-18)17-32-29(34-27)33-23-10-7-19(8-11-23)21-4-3-13-31-16-21/h6-7,10-15,20-22H,3-5,8-9,16-19H2,1-2H3,(H,32,33,34);5-10,15-17,19-20,31H,2-4,11-14H2,1H3,(H,32,33,34);5-10,13-15,17,25,33H,2-4,11-12,16H2,1H3,(H,34,35,36);6-11,16-19H,3-5,12-15H2,1-2H3,(H,31,32,33);7-12,14-15,17-18,21,31H,2-6,13,16H2,1H3,(H,32,33,34).

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

6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2526.48 g/mol, XLogP of 28.33, 30 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160923258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).