6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluoro-6-hydroxyphenyl)-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-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;1-(2-cyclopropyl-6-methylphenyl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

C113H118Cl3F5N22O9 — CID 159829454

About 6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluoro-6-hydroxyphenyl)-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-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;1-(2-cyclopropyl-6-methylphenyl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluoro-6-hydroxyphenyl)-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-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;1-(2-cyclopropyl-6-methylphenyl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 159829454) has the molecular formula C113H118Cl3F5N22O9 and a molecular weight of 2129.68 g/mol. Its IUPAC name is 6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluoro-6-hydroxyphenyl)-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-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;1-(2-cyclopropyl-6-methylphenyl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluoro-6-hydroxyphenyl)-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-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;1-(2-cyclopropyl-6-methylphenyl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 159829454
• Molecular Formula: C113H118Cl3F5N22O9
• Molecular Weight: 2129.68 g/mol
• Exact Mass: 2126.84
• IUPAC Name: 6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluoro-6-hydroxyphenyl)-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-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;1-(2-cyclopropyl-6-methylphenyl)-6-fluoro-7-(2-fluorophenyl)-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)ncnc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cccc3C3CC3)c3nc(-c4ccccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(C(CC)CC)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(CC(C)(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1
• InChI: InChI=1S/C31H33ClFN7O3.C31H29F2N5O2.C26H29ClFN5O2.C25H27ClFN5O2/c1-7-23(42)38-11-12-39(18(6)14-38)29-19-13-20(32)27(24-21(33)9-8-10-22(24)41)36-30(19)40(31(43)37-29)28-25(16(2)3)34-15-35-26(28)17(4)5;1-4-26(39)36-14-15-37(19(3)17-36)29-23-16-25(33)27(22-9-5-6-11-24(22)32)34-30(23)38(31(40)35-29)28-18(2)8-7-10-21(28)20-12-13-20;1-5-17(6-2)33-25-19(14-20(27)23(29-25)18-10-8-9-11-21(18)28)24(30-26(33)35)32-13-12-31(15-16(32)4)22(34)7-3;1-5-20(33)30-10-12-31(13-11-30)22-17-14-18(26)21(16-8-6-7-9-19(16)27)28-23(17)32(24(34)29-22)15-25(2,3)4/h7-10,13,15-18,41H,1,11-12,14H2,2-6H3;4-11,16,19-20H,1,12-15,17H2,2-3H3;7-11,14,16-17H,3,5-6,12-13,15H2,1-2,4H3;5-9,14H,1,10-13,15H2,2-4H3/t18-;19-;16-;/m000./s1
• InChIKey: NNGRYVASRSLAQV-IERMKNHSSA-N
• XLogP: 19.31
• TPSA: 331.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2129.68
LogP ≤ 5	19.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

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-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluoro-6-hydroxyphenyl)-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-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;1-(2-cyclopropyl-6-methylphenyl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluoro-6-hydroxyphenyl)-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-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;1-(2-cyclopropyl-6-methylphenyl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (CID 159829454) is 6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluoro-6-hydroxyphenyl)-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-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;1-(2-cyclopropyl-6-methylphenyl)-6-fluoro-7-(2-fluorophenyl)-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-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluoro-6-hydroxyphenyl)-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-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;1-(2-cyclopropyl-6-methylphenyl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluoro-6-hydroxyphenyl)-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-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;1-(2-cyclopropyl-6-methylphenyl)-6-fluoro-7-(2-fluorophenyl)-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)ncnc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cccc3C3CC3)c3nc(-c4ccccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(C(CC)CC)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(CC(C)(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1.

What is the InChIKey of 6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluoro-6-hydroxyphenyl)-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-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;1-(2-cyclopropyl-6-methylphenyl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is NNGRYVASRSLAQV-IERMKNHSSA-N. The full InChI is InChI=1S/C31H33ClFN7O3.C31H29F2N5O2.C26H29ClFN5O2.C25H27ClFN5O2/c1-7-23(42)38-11-12-39(18(6)14-38)29-19-13-20(32)27(24-21(33)9-8-10-22(24)41)36-30(19)40(31(43)37-29)28-25(16(2)3)34-15-35-26(28)17(4)5;1-4-26(39)36-14-15-37(19(3)17-36)29-23-16-25(33)27(22-9-5-6-11-24(22)32)34-30(23)38(31(40)35-29)28-18(2)8-7-10-21(28)20-12-13-20;1-5-17(6-2)33-25-19(14-20(27)23(29-25)18-10-8-9-11-21(18)28)24(30-26(33)35)32-13-12-31(15-16(32)4)22(34)7-3;1-5-20(33)30-10-12-31(13-11-30)22-17-14-18(26)21(16-8-6-7-9-19(16)27)28-23(17)32(24(34)29-22)15-25(2,3)4/h7-10,13,15-18,41H,1,11-12,14H2,2-6H3;4-11,16,19-20H,1,12-15,17H2,2-3H3;7-11,14,16-17H,3,5-6,12-13,15H2,1-2,4H3;5-9,14H,1,10-13,15H2,2-4H3/t18-;19-;16-;/m000./s1.

What are the key properties of 6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluoro-6-hydroxyphenyl)-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-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;1-(2-cyclopropyl-6-methylphenyl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluoro-6-hydroxyphenyl)-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-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;1-(2-cyclopropyl-6-methylphenyl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2129.68 g/mol, XLogP of 19.31, 21 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluoro-6-hydroxyphenyl)-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-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;1-(2-cyclopropyl-6-methylphenyl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 159829454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).