6-chloro-7-cyclohexyl-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-[2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one

C103H118Cl3F3N18O6 — CID 159434442

About 6-chloro-7-cyclohexyl-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-[2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one

6-chloro-7-cyclohexyl-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-[2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 159434442) has the molecular formula C103H118Cl3F3N18O6 and a molecular weight of 1867.55 g/mol. Its IUPAC name is 6-chloro-7-cyclohexyl-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-[2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-7-cyclohexyl-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-[2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 159434442
• Molecular Formula: C103H118Cl3F3N18O6
• Molecular Weight: 1867.55 g/mol
• Exact Mass: 1864.85
• IUPAC Name: 6-chloro-7-cyclohexyl-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-[2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(C4CCCCC4)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(CN4CC(C)(F)C4)cccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(CN4CCCC4)cccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C
• InChI: InChI=1S/C36H39ClF2N6O2.C36H40ClFN6O2.C31H39ClN6O2/c1-7-30(46)43-16-23(5)44(17-22(43)4)33-27-15-28(37)31(26-12-8-9-14-29(26)38)40-34(27)45(35(47)41-33)32-24(11-10-13-25(32)21(2)3)18-42-19-36(6,39)20-42;1-6-31(45)42-19-24(5)43(20-23(42)4)34-28-18-29(37)32(27-13-7-8-15-30(27)38)39-35(28)44(36(46)40-34)33-25(21-41-16-9-10-17-41)12-11-14-26(33)22(2)3;1-7-25(39)36-16-21(6)37(17-20(36)5)29-23-15-24(32)27(22-11-9-8-10-12-22)34-30(23)38(31(40)35-29)28-19(4)13-14-33-26(28)18(2)3/h7-15,21-23H,1,16-20H2,2-6H3;6-8,11-15,18,22-24H,1,9-10,16-17,19-21H2,2-5H3;7,13-15,18,20-22H,1,8-12,16-17H2,2-6H3
• InChIKey: LRJYYNQWDJQGAN-UHFFFAOYSA-N
• XLogP: 19.01
• TPSA: 233.36 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1867.55
LogP ≤ 5	19.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-cyclohexyl-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-[2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-7-cyclohexyl-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-[2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one (CID 159434442) is 6-chloro-7-cyclohexyl-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-[2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-chloro-7-cyclohexyl-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-[2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-7-cyclohexyl-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-[2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(C4CCCCC4)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(CN4CC(C)(F)C4)cccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(CN4CCCC4)cccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C.

What is the InChIKey of 6-chloro-7-cyclohexyl-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-[2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is LRJYYNQWDJQGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39ClF2N6O2.C36H40ClFN6O2.C31H39ClN6O2/c1-7-30(46)43-16-23(5)44(17-22(43)4)33-27-15-28(37)31(26-12-8-9-14-29(26)38)40-34(27)45(35(47)41-33)32-24(11-10-13-25(32)21(2)3)18-42-19-36(6,39)20-42;1-6-31(45)42-19-24(5)43(20-23(42)4)34-28-18-29(37)32(27-13-7-8-15-30(27)38)39-35(28)44(36(46)40-34)33-25(21-41-16-9-10-17-41)12-11-14-26(33)22(2)3;1-7-25(39)36-16-21(6)37(17-20(36)5)29-23-15-24(32)27(22-11-9-8-10-12-22)34-30(23)38(31(40)35-29)28-19(4)13-14-33-26(28)18(2)3/h7-15,21-23H,1,16-20H2,2-6H3;6-8,11-15,18,22-24H,1,9-10,16-17,19-21H2,2-5H3;7,13-15,18,20-22H,1,8-12,16-17H2,2-6H3.

What are the key properties of 6-chloro-7-cyclohexyl-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-[2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one?

6-chloro-7-cyclohexyl-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-[2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1867.55 g/mol, XLogP of 19.01, 19 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-cyclohexyl-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-[2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 159434442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).