6-chloro-7-(2-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-2-one;1-(4,6-diethylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

C117H123Cl4F2N23O8S — CID 158577337

About 6-chloro-7-(2-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-2-one;1-(4,6-diethylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

6-chloro-7-(2-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-2-one;1-(4,6-diethylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 158577337) has the molecular formula C117H123Cl4F2N23O8S and a molecular weight of 2191.30 g/mol. Its IUPAC name is 6-chloro-7-(2-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-2-one;1-(4,6-diethylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-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-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-2-one;1-(4,6-diethylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 158577337
• Molecular Formula: C117H123Cl4F2N23O8S
• Molecular Weight: 2191.30 g/mol
• Exact Mass: 2187.84
• IUPAC Name: 6-chloro-7-(2-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-2-one;1-(4,6-diethylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-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(CC)cccc3CC)c3nc(N4CCCCC4)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)ncnc3CC)c3nc(-c4ccccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4ccccc4Cl)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4cccs4)c(Cl)cc23)[C@@H](C)C1
• InChI: InChI=1S/C30H29Cl2N5O2.C30H37ClN6O2.C29H29F2N7O2.C28H28ClN5O2S/c1-5-26(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;1-5-21-12-11-13-22(6-2)26(21)37-28-23(18-24(31)29(32-28)34-14-9-8-10-15-34)27(33-30(37)39)36-17-16-35(19-20(36)4)25(38)7-3;1-5-22-26(23(6-2)33-16-32-22)38-28-19(14-21(31)25(34-28)18-10-8-9-11-20(18)30)27(35-29(38)40)37-13-12-36(15-17(37)4)24(39)7-3;1-5-24(35)32-12-13-33(18(4)16-32)26-20-15-21(29)25(23-11-8-14-37-23)30-27(20)34(28(36)31-26)22-10-7-6-9-19(22)17(2)3/h5-13,16,18-19H,1,14-15,17H2,2-4H3;7,11-13,18,20H,3,5-6,8-10,14-17,19H2,1-2,4H3;7-11,14,16-17H,3,5-6,12-13,15H2,1-2,4H3;5-11,14-15,17-18H,1,12-13,16H2,2-4H3/t19-;20-;17-;18-/m0000/s1
• InChIKey: HSUZZZDTNRILLO-BBWDZESFSA-N
• XLogP: 20.25
• TPSA: 314.34 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2191.30
LogP ≤ 5	20.25
H-Bond Donors ≤ 5	0
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 6-chloro-7-(2-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-2-one;1-(4,6-diethylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-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-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-2-one;1-(4,6-diethylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (CID 158577337) is 6-chloro-7-(2-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-2-one;1-(4,6-diethylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-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-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-2-one;1-(4,6-diethylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-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-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-2-one;1-(4,6-diethylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-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(CC)cccc3CC)c3nc(N4CCCCC4)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)ncnc3CC)c3nc(-c4ccccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4ccccc4Cl)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4cccs4)c(Cl)cc23)[C@@H](C)C1.

What is the InChIKey of 6-chloro-7-(2-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-2-one;1-(4,6-diethylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is HSUZZZDTNRILLO-BBWDZESFSA-N. The full InChI is InChI=1S/C30H29Cl2N5O2.C30H37ClN6O2.C29H29F2N7O2.C28H28ClN5O2S/c1-5-26(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;1-5-21-12-11-13-22(6-2)26(21)37-28-23(18-24(31)29(32-28)34-14-9-8-10-15-34)27(33-30(37)39)36-17-16-35(19-20(36)4)25(38)7-3;1-5-22-26(23(6-2)33-16-32-22)38-28-19(14-21(31)25(34-28)18-10-8-9-11-20(18)30)27(35-29(38)40)37-13-12-36(15-17(37)4)24(39)7-3;1-5-24(35)32-12-13-33(18(4)16-32)26-20-15-21(29)25(23-11-8-14-37-23)30-27(20)34(28(36)31-26)22-10-7-6-9-19(22)17(2)3/h5-13,16,18-19H,1,14-15,17H2,2-4H3;7,11-13,18,20H,3,5-6,8-10,14-17,19H2,1-2,4H3;7-11,14,16-17H,3,5-6,12-13,15H2,1-2,4H3;5-11,14-15,17-18H,1,12-13,16H2,2-4H3/t19-;20-;17-;18-/m0000/s1.

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

6-chloro-7-(2-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-2-one;1-(4,6-diethylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2191.30 g/mol, XLogP of 20.25, 22 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-(2-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-2-one;1-(4,6-diethylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 158577337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).