6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C88H88F8N16O3 — CID 157084648

About 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157084648) has the molecular formula C88H88F8N16O3 and a molecular weight of 1569.76 g/mol. Its IUPAC name is 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157084648
• Molecular Formula: C88H88F8N16O3
• Molecular Weight: 1569.76 g/mol
• Exact Mass: 1568.71
• IUPAC Name: 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2F)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21
• InChI: InChI=1S/2C30H30F3N5O.C28H28F2N6O/c1-2-38-27-22(15-25(28(38)39)24-10-7-21(19-3-4-19)16-26(24)30(31,32)33)17-35-29(37-27)36-23-8-5-18(6-9-23)20-11-13-34-14-12-20;1-2-38-27-22(14-25(28(38)39)24-12-9-20(18-5-6-18)15-26(24)30(31,32)33)17-35-29(37-27)36-23-10-7-19(8-11-23)21-4-3-13-34-16-21;1-2-36-26-19(13-22(27(36)37)21-7-5-18(14-23(21)29)17-3-4-17)16-32-28(34-26)33-20-6-8-25(24(30)15-20)35-11-9-31-10-12-35/h5-10,15-17,19-20,34H,2-4,11-14H2,1H3,(H,35,36,37);7-12,14-15,17-18,21,34H,2-6,13,16H2,1H3,(H,35,36,37);5-8,13-17,31H,2-4,9-12H2,1H3,(H,32,33,34)
• InChIKey: ADYKFCHYLONAOI-UHFFFAOYSA-N
• XLogP: 17.96
• TPSA: 218.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1569.76
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

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-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 157084648) is 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

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

The canonical SMILES for 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2F)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.

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

The InChIKey is ADYKFCHYLONAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H30F3N5O.C28H28F2N6O/c1-2-38-27-22(15-25(28(38)39)24-10-7-21(19-3-4-19)16-26(24)30(31,32)33)17-35-29(37-27)36-23-8-5-18(6-9-23)20-11-13-34-14-12-20;1-2-38-27-22(14-25(28(38)39)24-12-9-20(18-5-6-18)15-26(24)30(31,32)33)17-35-29(37-27)36-23-10-7-19(8-11-23)21-4-3-13-34-16-21;1-2-36-26-19(13-22(27(36)37)21-7-5-18(14-23(21)29)17-3-4-17)16-32-28(34-26)33-20-6-8-25(24(30)15-20)35-11-9-31-10-12-35/h5-10,15-17,19-20,34H,2-4,11-14H2,1H3,(H,35,36,37);7-12,14-15,17-18,21,34H,2-6,13,16H2,1H3,(H,35,36,37);5-8,13-17,31H,2-4,9-12H2,1H3,(H,32,33,34).

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

6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 1569.76 g/mol, XLogP of 17.96, 18 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157084648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).