6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one

C108H121Cl3F3N27O7 — CID 163425136

About 6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one

6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 163425136) has the molecular formula C108H121Cl3F3N27O7 and a molecular weight of 2072.69 g/mol. Its IUPAC name is 6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 163425136
• Molecular Formula: C108H121Cl3F3N27O7
• Molecular Weight: 2072.69 g/mol
• Exact Mass: 2069.90
• IUPAC Name: 6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C(C)C)nc(N4CCNCC4)nc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C4CC4)nc(N4CCNCC4)nc3C3CC3)c3nc(-c4c(O)cccc4F)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C4CC4)nc(N4CCNCC4)nc3C3CC3)c3nc(-c4ccccc4F)c(Cl)cc23)C[C@H]1C
• InChI: InChI=1S/C36H39ClFN9O3.C36H39ClFN9O2.C36H43ClFN9O2/c1-4-27(49)45-17-20(3)46(18-19(45)2)33-23-16-24(37)31(28-25(38)6-5-7-26(28)48)40-34(23)47(36(50)43-33)32-29(21-8-9-21)41-35(42-30(32)22-10-11-22)44-14-12-39-13-15-44;1-4-28(48)45-18-21(3)46(19-20(45)2)33-25-17-26(37)31(24-7-5-6-8-27(24)38)40-34(25)47(36(49)43-33)32-29(22-9-10-22)41-35(42-30(32)23-11-12-23)44-15-13-39-14-16-44;1-8-28(48)45-18-23(7)46(19-22(45)6)33-25-17-26(37)31(24-11-9-10-12-27(24)38)40-34(25)47(36(49)43-33)32-29(20(2)3)41-35(42-30(32)21(4)5)44-15-13-39-14-16-44/h4-7,16,19-22,39,48H,1,8-15,17-18H2,2-3H3;4-8,17,20-23,39H,1,9-16,18-19H2,2-3H3;8-12,17,20-23,39H,1,13-16,18-19H2,2-7H3/t19-,20+;20-,21+;22-,23+/m111/s1
• InChIKey: ALUZNLUWIZZCIB-NLSBADDGSA-N
• XLogP: 14.62
• TPSA: 357.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2072.69
LogP ≤ 5	14.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one (CID 163425136) is 6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C(C)C)nc(N4CCNCC4)nc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C4CC4)nc(N4CCNCC4)nc3C3CC3)c3nc(-c4c(O)cccc4F)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C4CC4)nc(N4CCNCC4)nc3C3CC3)c3nc(-c4ccccc4F)c(Cl)cc23)C[C@H]1C.

What is the InChIKey of 6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is ALUZNLUWIZZCIB-NLSBADDGSA-N. The full InChI is InChI=1S/C36H39ClFN9O3.C36H39ClFN9O2.C36H43ClFN9O2/c1-4-27(49)45-17-20(3)46(18-19(45)2)33-23-16-24(37)31(28-25(38)6-5-7-26(28)48)40-34(23)47(36(50)43-33)32-29(21-8-9-21)41-35(42-30(32)22-10-11-22)44-14-12-39-13-15-44;1-4-28(48)45-18-21(3)46(19-20(45)2)33-25-17-26(37)31(24-7-5-6-8-27(24)38)40-34(25)47(36(49)43-33)32-29(22-9-10-22)41-35(42-30(32)23-11-12-23)44-15-13-39-14-16-44;1-8-28(48)45-18-23(7)46(19-22(45)6)33-25-17-26(37)31(24-11-9-10-12-27(24)38)40-34(25)47(36(49)43-33)32-29(20(2)3)41-35(42-30(32)21(4)5)44-15-13-39-14-16-44/h4-7,16,19-22,39,48H,1,8-15,17-18H2,2-3H3;4-8,17,20-23,39H,1,9-16,18-19H2,2-3H3;8-12,17,20-23,39H,1,13-16,18-19H2,2-7H3/t19-,20+;20-,21+;22-,23+/m111/s1.

What are the key properties of 6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one?

6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2072.69 g/mol, XLogP of 14.62, 21 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 163425136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).