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-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)-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

C126H139Cl3F6N24O9 — CID 161179411

About 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-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)-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-(3-ethylpiperidin-1-yl)-4-(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)-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 161179411) has the molecular formula C126H139Cl3F6N24O9 and a molecular weight of 2354.00 g/mol. Its IUPAC name is 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-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)-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-(3-ethylpiperidin-1-yl)-4-(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)-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: 161179411
• Molecular Formula: C126H139Cl3F6N24O9
• Molecular Weight: 2354.00 g/mol
• Exact Mass: 2351.01
• IUPAC Name: 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-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)-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(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(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(CC)cccc3CC)c3nc(-c4ccccc4C(C)C)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
• InChI: InChI=1S/C34H38ClN5O2.C32H41ClN6O2.C30H33ClFN7O2.C30H27F5N6O3/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;1-6-22-12-11-15-37(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;1-7-23(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;1-5-22(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/h9-16,19,21-22H,3,7-8,17-18,20H2,1-2,4-6H3;9-10,13-14,18,21-22H,4,6-8,11-12,15-17,19-20H2,1-3,5H3;7-11,14,16-18H,1,12-13,15H2,2-6H3,(H,35,36);5-10,13,15-16,42H,1,11-12,14H2,2-4H3/t22-;;18-;16-/m0.00/s1
• InChIKey: USFZOSZEYVSAMQ-BIMYSNSFSA-N
• XLogP: 22.61
• TPSA: 350.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2354.00
LogP ≤ 5	22.61
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-(3-ethylpiperidin-1-yl)-4-(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)-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-(3-ethylpiperidin-1-yl)-4-(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)-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 161179411) is 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-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)-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-(3-ethylpiperidin-1-yl)-4-(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)-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-(3-ethylpiperidin-1-yl)-4-(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)-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(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(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(CC)cccc3CC)c3nc(-c4ccccc4C(C)C)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.

What is the InChIKey of 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-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)-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 USFZOSZEYVSAMQ-BIMYSNSFSA-N. The full InChI is InChI=1S/C34H38ClN5O2.C32H41ClN6O2.C30H33ClFN7O2.C30H27F5N6O3/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;1-6-22-12-11-15-37(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;1-7-23(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;1-5-22(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/h9-16,19,21-22H,3,7-8,17-18,20H2,1-2,4-6H3;9-10,13-14,18,21-22H,4,6-8,11-12,15-17,19-20H2,1-3,5H3;7-11,14,16-18H,1,12-13,15H2,2-6H3,(H,35,36);5-10,13,15-16,42H,1,11-12,14H2,2-4H3/t22-;;18-;16-/m0.00/s1.

What are the key properties of 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-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)-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-(3-ethylpiperidin-1-yl)-4-(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)-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 2354.00 g/mol, XLogP of 22.61, 25 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-(3-ethylpiperidin-1-yl)-4-(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)-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 161179411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).