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

C88H94Cl3F2N23O7S — CID 159285249

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

1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 159285249) has the molecular formula C88H94Cl3F2N23O7S and a molecular weight of 1762.30 g/mol. Its IUPAC name is 1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 159285249
• Molecular Formula: C88H94Cl3F2N23O7S
• Molecular Weight: 1762.30 g/mol
• Exact Mass: 1759.65
• IUPAC Name: 1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4nc(C)sc4C)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(N)ncnc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(N)ncnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C
• InChI: InChI=1S/C30H34ClN7O2S.C29H30ClFN8O3.C29H30ClFN8O2/c1-9-23(39)36-13-18(6)37(14-17(36)5)28-21-12-22(31)26(25-19(7)41-20(8)33-25)34-29(21)38(30(40)35-28)27-16(4)10-11-32-24(27)15(2)3;1-6-21(41)37-11-16(5)38(12-15(37)4)27-17-10-18(30)24(22-19(31)8-7-9-20(22)40)35-28(17)39(29(42)36-27)25-23(14(2)3)33-13-34-26(25)32;1-6-22(40)37-12-17(5)38(13-16(37)4)27-19-11-20(30)24(18-9-7-8-10-21(18)31)35-28(19)39(29(41)36-27)25-23(15(2)3)33-14-34-26(25)32/h9-12,15,17-18H,1,13-14H2,2-8H3;6-10,13-16,40H,1,11-12H2,2-5H3,(H2,32,33,34);6-11,14-17H,1,12-13H2,2-5H3,(H2,32,33,34)
• InChIKey: KZKUFCSYGAKKCX-UHFFFAOYSA-N
• XLogP: 14.01
• TPSA: 363.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1762.30
LogP ≤ 5	14.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (CID 159285249) is 1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.

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

The canonical SMILES for 1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4nc(C)sc4C)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(N)ncnc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(N)ncnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C.

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

The InChIKey is KZKUFCSYGAKKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN7O2S.C29H30ClFN8O3.C29H30ClFN8O2/c1-9-23(39)36-13-18(6)37(14-17(36)5)28-21-12-22(31)26(25-19(7)41-20(8)33-25)34-29(21)38(30(40)35-28)27-16(4)10-11-32-24(27)15(2)3;1-6-21(41)37-11-16(5)38(12-15(37)4)27-17-10-18(30)24(22-19(31)8-7-9-20(22)40)35-28(17)39(29(42)36-27)25-23(14(2)3)33-13-34-26(25)32;1-6-22(40)37-12-17(5)38(13-16(37)4)27-19-11-20(30)24(18-9-7-8-10-21(18)31)35-28(19)39(29(41)36-27)25-23(15(2)3)33-14-34-26(25)32/h9-12,15,17-18H,1,13-14H2,2-8H3;6-10,13-16,40H,1,11-12H2,2-5H3,(H2,32,33,34);6-11,14-17H,1,12-13H2,2-5H3,(H2,32,33,34).

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

1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1762.30 g/mol, XLogP of 14.01, 15 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(4-amino-6-propan-2-ylpyrimidin-5-yl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 159285249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).