6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C143H136Cl3F8N33O7S3 — CID 160815845

About 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160815845) has the molecular formula C143H136Cl3F8N33O7S3 and a molecular weight of 2783.43 g/mol. Its IUPAC name is 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160815845
• Molecular Formula: C143H136Cl3F8N33O7S3
• Molecular Weight: 2783.43 g/mol
• Exact Mass: 2779.94
• IUPAC Name: 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21
• InChI: InChI=1S/C31H32ClN7OS.C28H25ClFN7OS.C28H25ClN6O2S.C28H27F4N7O.C28H27F3N6O2/c1-4-39-29-22(15-26(30(39)40)25-10-5-21(16-27(25)32)28-18-33-19-41-28)17-34-31(36-29)35-23-6-8-24(9-7-23)38-13-11-37(12-14-38)20(2)3;1-2-37-26-18(11-21(27(37)38)20-5-3-17(12-22(20)29)25-15-32-16-39-25)14-33-28(35-26)34-19-4-6-24(23(30)13-19)36-9-7-31-8-10-36;1-2-35-26-19(11-22(27(35)36)21-8-5-18(12-23(21)29)25-15-31-16-38-25)13-32-28(34-26)33-20-6-3-17(4-7-20)24-14-30-9-10-37-24;1-2-39-25-18(11-20(26(39)40)24-21(28(30,31)32)12-17(14-34-24)16-3-4-16)15-35-27(37-25)36-19-5-6-23(22(29)13-19)38-9-7-33-8-10-38;1-2-37-25-19(11-21(26(37)38)24-22(28(29,30)31)12-18(13-33-24)16-3-4-16)14-34-27(36-25)35-20-7-5-17(6-8-20)23-15-32-9-10-39-23/h5-10,15-20H,4,11-14H2,1-3H3,(H,34,35,36);3-6,11-16,31H,2,7-10H2,1H3,(H,33,34,35);3-8,11-13,15-16,24,30H,2,9-10,14H2,1H3,(H,32,33,34);5-6,11-16,33H,2-4,7-10H2,1H3,(H,35,36,37);5-8,11-14,16,23,32H,2-4,9-10,15H2,1H3,(H,34,35,36)
• InChIKey: SEWUTYFZGYLUDN-UHFFFAOYSA-N
• XLogP: 27.97
• TPSA: 443.04 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 43
• Rotatable Bonds: 31
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2783.43
LogP ≤ 5	27.97
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	43

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-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 160815845) is 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.

What is the InChIKey of 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is SEWUTYFZGYLUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClN7OS.C28H25ClFN7OS.C28H25ClN6O2S.C28H27F4N7O.C28H27F3N6O2/c1-4-39-29-22(15-26(30(39)40)25-10-5-21(16-27(25)32)28-18-33-19-41-28)17-34-31(36-29)35-23-6-8-24(9-7-23)38-13-11-37(12-14-38)20(2)3;1-2-37-26-18(11-21(27(37)38)20-5-3-17(12-22(20)29)25-15-32-16-39-25)14-33-28(35-26)34-19-4-6-24(23(30)13-19)36-9-7-31-8-10-36;1-2-35-26-19(11-22(27(35)36)21-8-5-18(12-23(21)29)25-15-31-16-38-25)13-32-28(34-26)33-20-6-3-17(4-7-20)24-14-30-9-10-37-24;1-2-39-25-18(11-20(26(39)40)24-21(28(30,31)32)12-17(14-34-24)16-3-4-16)15-35-27(37-25)36-19-5-6-23(22(29)13-19)38-9-7-33-8-10-38;1-2-37-25-19(11-21(26(37)38)24-22(28(29,30)31)12-18(13-33-24)16-3-4-16)14-34-27(36-25)35-20-7-5-17(6-8-20)23-15-32-9-10-39-23/h5-10,15-20H,4,11-14H2,1-3H3,(H,34,35,36);3-6,11-16,31H,2,7-10H2,1H3,(H,33,34,35);3-8,11-13,15-16,24,30H,2,9-10,14H2,1H3,(H,32,33,34);5-6,11-16,33H,2-4,7-10H2,1H3,(H,35,36,37);5-8,11-14,16,23,32H,2-4,9-10,15H2,1H3,(H,34,35,36).

What are the key properties of 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2783.43 g/mol, XLogP of 27.97, 31 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160815845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).