6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(5-propan-2-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(5-hydroxy-4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-chlorophenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;7-(2-fluorophenyl)-6-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

C118H118Cl3F4N23O10S — CID 158495265

About 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(5-propan-2-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(5-hydroxy-4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-chlorophenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;7-(2-fluorophenyl)-6-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(5-propan-2-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(5-hydroxy-4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-chlorophenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;7-(2-fluorophenyl)-6-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 158495265) has the molecular formula C118H118Cl3F4N23O10S and a molecular weight of 2232.81 g/mol. Its IUPAC name is 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(5-propan-2-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(5-hydroxy-4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-chlorophenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;7-(2-fluorophenyl)-6-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(5-propan-2-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(5-hydroxy-4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-chlorophenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;7-(2-fluorophenyl)-6-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 158495265
• Molecular Formula: C118H118Cl3F4N23O10S
• Molecular Weight: 2232.81 g/mol
• Exact Mass: 2229.82
• IUPAC Name: 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(5-propan-2-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(5-hydroxy-4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-chlorophenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;7-(2-fluorophenyl)-6-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C(C)C)ncc(O)c3C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(C)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4ccccc4Cl)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ncsc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1
• InChI: InChI=1S/C31H33FN6O2.C30H30ClFN6O3.C30H29ClFN5O2.C27H26ClFN6O3S/c1-7-25(39)36-14-15-37(21(6)17-36)29-23-16-20(5)27(22-10-8-9-11-24(22)32)34-30(23)38(31(40)35-29)28-19(4)12-13-33-26(28)18(2)3;1-6-24(40)36-11-12-37(17(4)15-36)28-20-13-21(31)26(19-9-7-8-10-22(19)32)34-29(20)38(30(41)35-28)27-18(5)23(39)14-33-25(27)16(2)3;1-5-26(38)35-14-15-36(19(4)17-35)28-22-16-24(32)27(21-11-6-8-12-23(21)31)33-29(22)37(30(39)34-28)25-13-9-7-10-20(25)18(2)3;1-5-20(37)33-9-10-34(15(4)12-33)24-16-11-17(28)22(21-18(29)7-6-8-19(21)36)31-25(16)35(27(38)32-24)26-23(14(2)3)39-13-30-26/h7-13,16,18,21H,1,14-15,17H2,2-6H3;6-10,13-14,16-17,39H,1,11-12,15H2,2-5H3;5-13,16,18-19H,1,14-15,17H2,2-4H3;5-8,11,13-15,36H,1,9-10,12H2,2-4H3/t21-;17-;19-;15-/m0000/s1
• InChIKey: HJEYKFIFVCSTML-OQVUAGDUSA-N
• XLogP: 20.28
• TPSA: 364.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2232.81
LogP ≤ 5	20.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(5-propan-2-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(5-hydroxy-4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-chlorophenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;7-(2-fluorophenyl)-6-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(5-propan-2-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(5-hydroxy-4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-chlorophenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;7-(2-fluorophenyl)-6-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (CID 158495265) is 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(5-propan-2-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(5-hydroxy-4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-chlorophenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;7-(2-fluorophenyl)-6-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(5-propan-2-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(5-hydroxy-4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-chlorophenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;7-(2-fluorophenyl)-6-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(5-propan-2-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(5-hydroxy-4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-chlorophenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;7-(2-fluorophenyl)-6-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C(C)C)ncc(O)c3C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(C)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4ccccc4Cl)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ncsc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1.

What is the InChIKey of 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(5-propan-2-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(5-hydroxy-4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-chlorophenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;7-(2-fluorophenyl)-6-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is HJEYKFIFVCSTML-OQVUAGDUSA-N. The full InChI is InChI=1S/C31H33FN6O2.C30H30ClFN6O3.C30H29ClFN5O2.C27H26ClFN6O3S/c1-7-25(39)36-14-15-37(21(6)17-36)29-23-16-20(5)27(22-10-8-9-11-24(22)32)34-30(23)38(31(40)35-29)28-19(4)12-13-33-26(28)18(2)3;1-6-24(40)36-11-12-37(17(4)15-36)28-20-13-21(31)26(19-9-7-8-10-22(19)32)34-29(20)38(30(41)35-28)27-18(5)23(39)14-33-25(27)16(2)3;1-5-26(38)35-14-15-36(19(4)17-35)28-22-16-24(32)27(21-11-6-8-12-23(21)31)33-29(22)37(30(39)34-28)25-13-9-7-10-20(25)18(2)3;1-5-20(37)33-9-10-34(15(4)12-33)24-16-11-17(28)22(21-18(29)7-6-8-19(21)36)31-25(16)35(27(38)32-24)26-23(14(2)3)39-13-30-26/h7-13,16,18,21H,1,14-15,17H2,2-6H3;6-10,13-14,16-17,39H,1,11-12,15H2,2-5H3;5-13,16,18-19H,1,14-15,17H2,2-4H3;5-8,11,13-15,36H,1,9-10,12H2,2-4H3/t21-;17-;19-;15-/m0000/s1.

What are the key properties of 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(5-propan-2-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(5-hydroxy-4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-chlorophenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;7-(2-fluorophenyl)-6-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(5-propan-2-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(5-hydroxy-4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-chlorophenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;7-(2-fluorophenyl)-6-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2232.81 g/mol, XLogP of 20.28, 20 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(5-propan-2-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(5-hydroxy-4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-chlorophenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;7-(2-fluorophenyl)-6-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 158495265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).