6-chloro-4-[(2R,6S)-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-7-(1,3-dimethylpyrrol-2-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-[2-(hydroxymethyl)-6-propan-2-ylphenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-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

C114H121Cl4F2N23O9S — CID 157239093

About 6-chloro-4-[(2R,6S)-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-7-(1,3-dimethylpyrrol-2-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-[2-(hydroxymethyl)-6-propan-2-ylphenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-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-4-[(2R,6S)-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-7-(1,3-dimethylpyrrol-2-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-[2-(hydroxymethyl)-6-propan-2-ylphenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-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 (PubChem CID 157239093) has the molecular formula C114H121Cl4F2N23O9S and a molecular weight of 2169.25 g/mol. Its IUPAC name is 6-chloro-4-[(2R,6S)-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-7-(1,3-dimethylpyrrol-2-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-[2-(hydroxymethyl)-6-propan-2-ylphenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-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.

Molecular Properties

• Compound Name: 6-chloro-4-[(2R,6S)-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-7-(1,3-dimethylpyrrol-2-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-[2-(hydroxymethyl)-6-propan-2-ylphenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-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
• PubChem CID: 157239093
• Molecular Formula: C114H121Cl4F2N23O9S
• Molecular Weight: 2169.25 g/mol
• Exact Mass: 2165.82
• IUPAC Name: 6-chloro-4-[(2R,6S)-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-7-(1,3-dimethylpyrrol-2-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-[2-(hydroxymethyl)-6-propan-2-ylphenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-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
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CO)cccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4c(C)ccn4C)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ncsc3C(C)C)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
• InChI: InChI=1S/C31H31ClFN5O3.C30H33ClN6O2.C27H26ClFN6O2S.C26H31ClN6O2/c1-5-26(40)36-13-14-37(19(4)16-36)29-23-15-24(32)27(22-10-6-7-12-25(22)33)34-30(23)38(31(41)35-29)28-20(17-39)9-8-11-21(28)18(2)3;1-7-25(38)35-14-15-36(20(5)17-35)28-22-16-23(31)26(27-19(4)12-13-34(27)6)32-29(22)37(30(39)33-28)24-11-9-8-10-21(24)18(2)3;1-5-21(36)33-10-11-34(16(4)13-33)24-18-12-19(28)22(17-8-6-7-9-20(17)29)31-25(18)35(27(37)32-24)26-23(15(2)3)38-14-30-26;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/h5-12,15,18-19,39H,1,13-14,16-17H2,2-4H3;7-13,16,18,20H,1,14-15,17H2,2-6H3;5-9,12,14-16H,1,10-11,13H2,2-4H3;8-11,14,16-17H,1,12-13H2,2-7H3/t19-;20-;16-;16-,17+/m000./s1
• InChIKey: AUZLTOXZTQWFQZ-UFOUNQCMSA-N
• XLogP: 19.40
• TPSA: 336.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2169.25
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(2R,6S)-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-7-(1,3-dimethylpyrrol-2-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-[2-(hydroxymethyl)-6-propan-2-ylphenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-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?

The IUPAC name of 6-chloro-4-[(2R,6S)-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-7-(1,3-dimethylpyrrol-2-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-[2-(hydroxymethyl)-6-propan-2-ylphenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-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 (CID 157239093) is 6-chloro-4-[(2R,6S)-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-7-(1,3-dimethylpyrrol-2-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-[2-(hydroxymethyl)-6-propan-2-ylphenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-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.

What is the SMILES notation for 6-chloro-4-[(2R,6S)-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-7-(1,3-dimethylpyrrol-2-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-[2-(hydroxymethyl)-6-propan-2-ylphenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-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?

The canonical SMILES for 6-chloro-4-[(2R,6S)-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-7-(1,3-dimethylpyrrol-2-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-[2-(hydroxymethyl)-6-propan-2-ylphenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-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 is C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CO)cccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4c(C)ccn4C)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ncsc3C(C)C)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.

What is the InChIKey of 6-chloro-4-[(2R,6S)-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-7-(1,3-dimethylpyrrol-2-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-[2-(hydroxymethyl)-6-propan-2-ylphenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-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?

The InChIKey is AUZLTOXZTQWFQZ-UFOUNQCMSA-N. The full InChI is InChI=1S/C31H31ClFN5O3.C30H33ClN6O2.C27H26ClFN6O2S.C26H31ClN6O2/c1-5-26(40)36-13-14-37(19(4)16-36)29-23-15-24(32)27(22-10-6-7-12-25(22)33)34-30(23)38(31(41)35-29)28-20(17-39)9-8-11-21(28)18(2)3;1-7-25(38)35-14-15-36(20(5)17-35)28-22-16-23(31)26(27-19(4)12-13-34(27)6)32-29(22)37(30(39)33-28)24-11-9-8-10-21(24)18(2)3;1-5-21(36)33-10-11-34(16(4)13-33)24-18-12-19(28)22(17-8-6-7-9-20(17)29)31-25(18)35(27(37)32-24)26-23(15(2)3)38-14-30-26;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/h5-12,15,18-19,39H,1,13-14,16-17H2,2-4H3;7-13,16,18,20H,1,14-15,17H2,2-6H3;5-9,12,14-16H,1,10-11,13H2,2-4H3;8-11,14,16-17H,1,12-13H2,2-7H3/t19-;20-;16-;16-,17+/m000./s1.

What are the key properties of 6-chloro-4-[(2R,6S)-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-7-(1,3-dimethylpyrrol-2-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-[2-(hydroxymethyl)-6-propan-2-ylphenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-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-4-[(2R,6S)-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-7-(1,3-dimethylpyrrol-2-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-[2-(hydroxymethyl)-6-propan-2-ylphenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-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 has a molecular weight of 2169.25 g/mol, XLogP of 19.40, 20 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-[(2R,6S)-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-7-(1,3-dimethylpyrrol-2-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-1-[2-(hydroxymethyl)-6-propan-2-ylphenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluorophenyl)-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 is sourced from PubChem (CID 157239093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).