6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2R)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(3-cyclopropylpyrazin-2-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(3-propan-2-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-2-one

C116H106Cl2F12N26O10 — CID 160589347

About 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2R)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(3-cyclopropylpyrazin-2-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(3-propan-2-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-2-one

6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2R)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(3-cyclopropylpyrazin-2-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(3-propan-2-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 160589347) has the molecular formula C116H106Cl2F12N26O10 and a molecular weight of 2323.18 g/mol. Its IUPAC name is 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2R)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(3-cyclopropylpyrazin-2-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(3-propan-2-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2R)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(3-cyclopropylpyrazin-2-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(3-propan-2-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 160589347
• Molecular Formula: C116H106Cl2F12N26O10
• Molecular Weight: 2323.18 g/mol
• Exact Mass: 2320.78
• IUPAC Name: 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2R)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(3-cyclopropylpyrazin-2-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(3-propan-2-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C(F)(F)F)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@H](C(F)(F)F)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3nccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3nccnc3C3CC3)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
• InChI: InChI=1S/2C30H27ClF4N6O2.C28H25F2N7O3.C28H27F2N7O3/c2*1-5-23(42)39-12-13-40(22(15-39)30(33,34)35)27-19-14-20(31)25(18-8-6-7-9-21(18)32)37-28(19)41(29(43)38-27)26-17(4)10-11-36-24(26)16(2)3;1-3-21(39)35-11-12-36(15(2)14-35)25-17-13-19(30)24(22-18(29)5-4-6-20(22)38)33-26(17)37(28(40)34-25)27-23(16-7-8-16)31-9-10-32-27;1-5-21(39)35-11-12-36(16(4)14-35)25-17-13-19(30)24(22-18(29)7-6-8-20(22)38)33-26(17)37(28(40)34-25)27-23(15(2)3)31-9-10-32-27/h2*5-11,14,16,22H,1,12-13,15H2,2-4H3;3-6,9-10,13,15-16,38H,1,7-8,11-12,14H2,2H3;5-10,13,15-16,38H,1,11-12,14H2,2-4H3/t2*22-;15-;16-/m1000/s1
• InChIKey: RCUNIRFSYJMCQS-RGVWMHIZSA-N
• XLogP: 18.56
• TPSA: 403.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2323.18
LogP ≤ 5	18.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

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-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2R)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(3-cyclopropylpyrazin-2-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(3-propan-2-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2R)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(3-cyclopropylpyrazin-2-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(3-propan-2-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-2-one (CID 160589347) is 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2R)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(3-cyclopropylpyrazin-2-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(3-propan-2-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2R)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(3-cyclopropylpyrazin-2-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(3-propan-2-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2R)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(3-cyclopropylpyrazin-2-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(3-propan-2-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C(F)(F)F)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@H](C(F)(F)F)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3nccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3nccnc3C3CC3)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.

What is the InChIKey of 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2R)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(3-cyclopropylpyrazin-2-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(3-propan-2-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is RCUNIRFSYJMCQS-RGVWMHIZSA-N. The full InChI is InChI=1S/2C30H27ClF4N6O2.C28H25F2N7O3.C28H27F2N7O3/c2*1-5-23(42)39-12-13-40(22(15-39)30(33,34)35)27-19-14-20(31)25(18-8-6-7-9-21(18)32)37-28(19)41(29(43)38-27)26-17(4)10-11-36-24(26)16(2)3;1-3-21(39)35-11-12-36(15(2)14-35)25-17-13-19(30)24(22-18(29)5-4-6-20(22)38)33-26(17)37(28(40)34-25)27-23(16-7-8-16)31-9-10-32-27;1-5-21(39)35-11-12-36(16(4)14-35)25-17-13-19(30)24(22-18(29)7-6-8-20(22)38)33-26(17)37(28(40)34-25)27-23(15(2)3)31-9-10-32-27/h2*5-11,14,16,22H,1,12-13,15H2,2-4H3;3-6,9-10,13,15-16,38H,1,7-8,11-12,14H2,2H3;5-10,13,15-16,38H,1,11-12,14H2,2-4H3/t2*22-;15-;16-/m1000/s1.

What are the key properties of 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2R)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(3-cyclopropylpyrazin-2-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(3-propan-2-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-2-one?

6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2R)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(3-cyclopropylpyrazin-2-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(3-propan-2-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2323.18 g/mol, XLogP of 18.56, 20 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2R)-4-prop-2-enoyl-2-(trifluoromethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(3-cyclopropylpyrazin-2-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(3-propan-2-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 160589347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).