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

C114H118Cl5F2N23O10S — CID 157308378

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

6-chloro-7-(2-chloro-5-hydroxy-3-methylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 157308378) has the molecular formula C114H118Cl5F2N23O10S and a molecular weight of 2217.68 g/mol. Its IUPAC name is 6-chloro-7-(2-chloro-5-hydroxy-3-methylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-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-chloro-5-hydroxy-3-methylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 157308378
• Molecular Formula: C114H118Cl5F2N23O10S
• Molecular Weight: 2217.68 g/mol
• Exact Mass: 2213.76
• IUPAC Name: 6-chloro-7-(2-chloro-5-hydroxy-3-methylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-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(-c3ccccc3C(C)C)c3nc(-c4cc(O)cc(C)c4Cl)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3scnc3CC)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1C[C@@H](C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(C)c(Cl)cc23)[C@H](C)C1.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1
• InChI: InChI=1S/C31H31Cl2N5O3.C31H32ClFN6O3.C26H24ClFN6O2S.C26H31ClN6O2/c1-6-26(40)36-11-12-37(19(5)16-36)29-23-15-24(32)28(22-14-20(39)13-18(4)27(22)33)34-30(23)38(31(41)35-29)25-10-8-7-9-21(25)17(2)3;1-7-24(41)37-14-18(5)38(19(6)15-37)30-20-13-21(32)27(25-22(33)9-8-10-23(25)40)35-29(20)39(31(42)36-30)28-17(4)11-12-34-26(28)16(2)3;1-4-20-25(37-14-29-20)34-24-17(12-18(27)22(30-24)16-8-6-7-9-19(16)28)23(31-26(34)36)33-11-10-32(13-15(33)3)21(35)5-2;1-8-21(34)31-12-16(5)32(17(6)13-31)25-19-11-20(27)18(7)29-24(19)33(26(35)30-25)23-15(4)9-10-28-22(23)14(2)3/h6-10,13-15,17,19,39H,1,11-12,16H2,2-5H3;7-13,16,18-19,40H,1,14-15H2,2-6H3;5-9,12,14-15H,2,4,10-11,13H2,1,3H3;8-11,14,16-17H,1,12-13H2,2-7H3/t19-;18-,19-;15-;16-,17-/m0001/s1
• InChIKey: BCTHBEYLSRHYKL-ZUBWNVJTSA-N
• XLogP: 20.16
• TPSA: 364.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2217.68
LogP ≤ 5	20.16
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-chloro-5-hydroxy-3-methylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-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-chloro-5-hydroxy-3-methylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (CID 157308378) is 6-chloro-7-(2-chloro-5-hydroxy-3-methylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-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-chloro-5-hydroxy-3-methylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-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-chloro-5-hydroxy-3-methylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-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(-c3ccccc3C(C)C)c3nc(-c4cc(O)cc(C)c4Cl)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3scnc3CC)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1C[C@@H](C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(C)c(Cl)cc23)[C@H](C)C1.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1.

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

The InChIKey is BCTHBEYLSRHYKL-ZUBWNVJTSA-N. The full InChI is InChI=1S/C31H31Cl2N5O3.C31H32ClFN6O3.C26H24ClFN6O2S.C26H31ClN6O2/c1-6-26(40)36-11-12-37(19(5)16-36)29-23-15-24(32)28(22-14-20(39)13-18(4)27(22)33)34-30(23)38(31(41)35-29)25-10-8-7-9-21(25)17(2)3;1-7-24(41)37-14-18(5)38(19(6)15-37)30-20-13-21(32)27(25-22(33)9-8-10-23(25)40)35-29(20)39(31(42)36-30)28-17(4)11-12-34-26(28)16(2)3;1-4-20-25(37-14-29-20)34-24-17(12-18(27)22(30-24)16-8-6-7-9-19(16)28)23(31-26(34)36)33-11-10-32(13-15(33)3)21(35)5-2;1-8-21(34)31-12-16(5)32(17(6)13-31)25-19-11-20(27)18(7)29-24(19)33(26(35)30-25)23-15(4)9-10-28-22(23)14(2)3/h6-10,13-15,17,19,39H,1,11-12,16H2,2-5H3;7-13,16,18-19,40H,1,14-15H2,2-6H3;5-9,12,14-15H,2,4,10-11,13H2,1,3H3;8-11,14,16-17H,1,12-13H2,2-7H3/t19-;18-,19-;15-;16-,17-/m0001/s1.

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

6-chloro-7-(2-chloro-5-hydroxy-3-methylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-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 2217.68 g/mol, XLogP of 20.16, 19 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-(2-chloro-5-hydroxy-3-methylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(4-ethyl-1,3-thiazol-5-yl)-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 157308378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).