6-chloro-1-(2,6-diethylphenyl)-7-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-(3-ethylpiperidin-1-yl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)-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-[2-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one

C123H139Cl3F6N26O11 — CID 160695391

About 6-chloro-1-(2,6-diethylphenyl)-7-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-(3-ethylpiperidin-1-yl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)-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-[2-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one

6-chloro-1-(2,6-diethylphenyl)-7-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-(3-ethylpiperidin-1-yl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)-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-[2-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 160695391) has the molecular formula C123H139Cl3F6N26O11 and a molecular weight of 2377.98 g/mol. Its IUPAC name is 6-chloro-1-(2,6-diethylphenyl)-7-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-(3-ethylpiperidin-1-yl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)-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-[2-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-(2,6-diethylphenyl)-7-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-(3-ethylpiperidin-1-yl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)-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-[2-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 160695391
• Molecular Formula: C123H139Cl3F6N26O11
• Molecular Weight: 2377.98 g/mol
• Exact Mass: 2375.01
• IUPAC Name: 6-chloro-1-(2,6-diethylphenyl)-7-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-(3-ethylpiperidin-1-yl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)-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-[2-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C(F)(F)F)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ncnc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)cccc3CC)c3nc(N4CCCC(CC)C4)c(Cl)cc23)C(C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)cccc3CC)c3nc(N4CCOC(CN(C)C)C4)c(Cl)cc23)C(C)C1
• InChI: InChI=1S/C32H42ClN7O3.C32H41ClN6O2.C30H27F5N6O3.C29H29ClFN7O3/c1-7-22-11-10-12-23(8-2)28(22)40-30-25(17-26(33)31(34-30)38-15-16-43-24(20-38)19-36(5)6)29(35-32(40)42)39-14-13-37(18-21(39)4)27(41)9-3;1-6-22-12-11-15-37(20-22)31-26(33)18-25-29(38-17-16-36(19-21(38)5)27(40)9-4)35-32(41)39(30(25)34-31)28-23(7-2)13-10-14-24(28)8-3;1-5-22(43)39-11-12-40(16(4)14-39)27-17-13-20(32)25(23-19(31)7-6-8-21(23)42)37-28(17)41(29(44)38-27)26-18(30(33,34)35)9-10-36-24(26)15(2)3;1-6-22(40)36-10-11-37(16(4)13-36)27-18-12-19(30)25(23-20(31)8-7-9-21(23)39)34-28(18)38(29(41)35-27)26-17(5)32-14-33-24(26)15(2)3/h9-12,17,21,24H,3,7-8,13-16,18-20H2,1-2,4-6H3;9-10,13-14,18,21-22H,4,6-8,11-12,15-17,19-20H2,1-3,5H3;5-10,13,15-16,42H,1,11-12,14H2,2-4H3;6-9,12,14-16,39H,1,10-11,13H2,2-5H3/t;;2*16-/m..00/s1
• InChIKey: RPXVYMUHQQZWMD-PRZYIXIOSA-N
• XLogP: 18.54
• TPSA: 383.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2377.98
LogP ≤ 5	18.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

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-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-(3-ethylpiperidin-1-yl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)-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-[2-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-1-(2,6-diethylphenyl)-7-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-(3-ethylpiperidin-1-yl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)-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-[2-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one (CID 160695391) is 6-chloro-1-(2,6-diethylphenyl)-7-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-(3-ethylpiperidin-1-yl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)-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-[2-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-chloro-1-(2,6-diethylphenyl)-7-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-(3-ethylpiperidin-1-yl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)-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-[2-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-1-(2,6-diethylphenyl)-7-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-(3-ethylpiperidin-1-yl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)-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-[2-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C(F)(F)F)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ncnc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)cccc3CC)c3nc(N4CCCC(CC)C4)c(Cl)cc23)C(C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)cccc3CC)c3nc(N4CCOC(CN(C)C)C4)c(Cl)cc23)C(C)C1.

What is the InChIKey of 6-chloro-1-(2,6-diethylphenyl)-7-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-(3-ethylpiperidin-1-yl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)-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-[2-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is RPXVYMUHQQZWMD-PRZYIXIOSA-N. The full InChI is InChI=1S/C32H42ClN7O3.C32H41ClN6O2.C30H27F5N6O3.C29H29ClFN7O3/c1-7-22-11-10-12-23(8-2)28(22)40-30-25(17-26(33)31(34-30)38-15-16-43-24(20-38)19-36(5)6)29(35-32(40)42)39-14-13-37(18-21(39)4)27(41)9-3;1-6-22-12-11-15-37(20-22)31-26(33)18-25-29(38-17-16-36(19-21(38)5)27(40)9-4)35-32(41)39(30(25)34-31)28-23(7-2)13-10-14-24(28)8-3;1-5-22(43)39-11-12-40(16(4)14-39)27-17-13-20(32)25(23-19(31)7-6-8-21(23)42)37-28(17)41(29(44)38-27)26-18(30(33,34)35)9-10-36-24(26)15(2)3;1-6-22(40)36-10-11-37(16(4)13-36)27-18-12-19(30)25(23-20(31)8-7-9-21(23)39)34-28(18)38(29(41)35-27)26-17(5)32-14-33-24(26)15(2)3/h9-12,17,21,24H,3,7-8,13-16,18-20H2,1-2,4-6H3;9-10,13-14,18,21-22H,4,6-8,11-12,15-17,19-20H2,1-3,5H3;5-10,13,15-16,42H,1,11-12,14H2,2-4H3;6-9,12,14-16,39H,1,10-11,13H2,2-5H3/t;;2*16-/m..00/s1.

What are the key properties of 6-chloro-1-(2,6-diethylphenyl)-7-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-(3-ethylpiperidin-1-yl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)-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-[2-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one?

6-chloro-1-(2,6-diethylphenyl)-7-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-(3-ethylpiperidin-1-yl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)-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-[2-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2377.98 g/mol, XLogP of 18.54, 25 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-(2,6-diethylphenyl)-7-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-(3-ethylpiperidin-1-yl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)-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-[2-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 160695391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).