6-chloro-1-(2,6-diethylphenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

C125H140Cl3F3N24O9 — CID 159894236

About 6-chloro-1-(2,6-diethylphenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

6-chloro-1-(2,6-diethylphenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 159894236) has the molecular formula C125H140Cl3F3N24O9 and a molecular weight of 2286.01 g/mol. Its IUPAC name is 6-chloro-1-(2,6-diethylphenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-(2,6-diethylphenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 159894236
• Molecular Formula: C125H140Cl3F3N24O9
• Molecular Weight: 2286.01 g/mol
• Exact Mass: 2283.03
• IUPAC Name: 6-chloro-1-(2,6-diethylphenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-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(C(C)C)n[nH]c3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)cccc3CC)c3nc(-c4ccccc4C(C)C)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)cccc3CC)c3nc(N4CCC[C@H](C)C4)c(Cl)cc23)[C@@H](C)C1
• InChI: InChI=1S/C34H38ClN5O2.C31H39ClN6O2.C30H33ClFN7O2.C30H30F2N6O3/c1-7-23-13-12-14-24(8-2)31(23)40-33-27(19-28(35)30(36-33)26-16-11-10-15-25(26)21(4)5)32(37-34(40)42)39-18-17-38(20-22(39)6)29(41)9-3;1-6-22-12-9-13-23(7-2)27(22)38-29-24(17-25(32)30(33-29)36-14-10-11-20(4)18-36)28(34-31(38)40)37-16-15-35(19-21(37)5)26(39)8-3;1-7-23(40)37-12-13-38(18(6)15-37)28-20-14-21(31)26(19-10-8-9-11-22(19)32)33-29(20)39(30(41)34-28)27-24(16(2)3)35-36-25(27)17(4)5;1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h9-16,19,21-22H,3,7-8,17-18,20H2,1-2,4-6H3;8-9,12-13,17,20-21H,3,6-7,10-11,14-16,18-19H2,1-2,4-5H3;7-11,14,16-18H,1,12-13,15H2,2-6H3,(H,35,36);6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t22-;20-,21-;2*18-/m0000/s1
• InChIKey: NVDIEWWAFZWPEM-FOMRPROTSA-N
• XLogP: 21.51
• TPSA: 350.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2286.01
LogP ≤ 5	21.51
H-Bond Donors ≤ 5	2
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-1-(2,6-diethylphenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-1-(2,6-diethylphenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (CID 159894236) is 6-chloro-1-(2,6-diethylphenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-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-1-(2,6-diethylphenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-1-(2,6-diethylphenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-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(C(C)C)n[nH]c3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)cccc3CC)c3nc(-c4ccccc4C(C)C)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)cccc3CC)c3nc(N4CCC[C@H](C)C4)c(Cl)cc23)[C@@H](C)C1.

What is the InChIKey of 6-chloro-1-(2,6-diethylphenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is NVDIEWWAFZWPEM-FOMRPROTSA-N. The full InChI is InChI=1S/C34H38ClN5O2.C31H39ClN6O2.C30H33ClFN7O2.C30H30F2N6O3/c1-7-23-13-12-14-24(8-2)31(23)40-33-27(19-28(35)30(36-33)26-16-11-10-15-25(26)21(4)5)32(37-34(40)42)39-18-17-38(20-22(39)6)29(41)9-3;1-6-22-12-9-13-23(7-2)27(22)38-29-24(17-25(32)30(33-29)36-14-10-11-20(4)18-36)28(34-31(38)40)37-16-15-35(19-21(37)5)26(39)8-3;1-7-23(40)37-12-13-38(18(6)15-37)28-20-14-21(31)26(19-10-8-9-11-22(19)32)33-29(20)39(30(41)34-28)27-24(16(2)3)35-36-25(27)17(4)5;1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h9-16,19,21-22H,3,7-8,17-18,20H2,1-2,4-6H3;8-9,12-13,17,20-21H,3,6-7,10-11,14-16,18-19H2,1-2,4-5H3;7-11,14,16-18H,1,12-13,15H2,2-6H3,(H,35,36);6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t22-;20-,21-;2*18-/m0000/s1.

What are the key properties of 6-chloro-1-(2,6-diethylphenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

6-chloro-1-(2,6-diethylphenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2286.01 g/mol, XLogP of 21.51, 24 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-(2,6-diethylphenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 159894236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).