6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[4,6-di(propan-2-yl)-2-propylsulfonylpyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[3,5-di(propan-2-yl)-4-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-ethenyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one

C102H114Cl3F3N20O8S — CID 157115173

About 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[4,6-di(propan-2-yl)-2-propylsulfonylpyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[3,5-di(propan-2-yl)-4-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-ethenyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one

6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[4,6-di(propan-2-yl)-2-propylsulfonylpyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[3,5-di(propan-2-yl)-4-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-ethenyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 157115173) has the molecular formula C102H114Cl3F3N20O8S and a molecular weight of 1943.59 g/mol. Its IUPAC name is 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[4,6-di(propan-2-yl)-2-propylsulfonylpyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[3,5-di(propan-2-yl)-4-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-ethenyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[4,6-di(propan-2-yl)-2-propylsulfonylpyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[3,5-di(propan-2-yl)-4-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-ethenyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 157115173
• Molecular Formula: C102H114Cl3F3N20O8S
• Molecular Weight: 1943.59 g/mol
• Exact Mass: 1940.79
• IUPAC Name: 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[4,6-di(propan-2-yl)-2-propylsulfonylpyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[3,5-di(propan-2-yl)-4-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-ethenyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C(C)C)cncc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C(C)C)nc(C=C)nc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C(C)C)nc(S(=O)(=O)CCC)nc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C
• InChI: InChI=1S/C35H41ClFN7O4S.C34H37ClFN7O2.C33H36ClFN6O2/c1-9-15-49(47,48)34-39-28(19(3)4)31(29(40-34)20(5)6)44-33-24(16-25(36)30(38-33)23-13-11-12-14-26(23)37)32(41-35(44)46)43-18-21(7)42(17-22(43)8)27(45)10-2;1-9-26-37-28(18(3)4)31(29(38-26)19(5)6)43-33-23(15-24(35)30(39-33)22-13-11-12-14-25(22)36)32(40-34(43)45)42-17-20(7)41(16-21(42)8)27(44)10-2;1-8-28(42)39-16-21(7)40(17-20(39)6)31-23-13-26(34)29(22-11-9-10-12-27(22)35)37-32(23)41(33(43)38-31)30-24(18(2)3)14-36-15-25(30)19(4)5/h10-14,16,19-22H,2,9,15,17-18H2,1,3-8H3;9-15,18-21H,1-2,16-17H2,3-8H3;8-15,18-21H,1,16-17H2,2-7H3
• InChIKey: AHHVIJQBQNUOPA-UHFFFAOYSA-N
• XLogP: 19.10
• TPSA: 312.58 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1943.59
LogP ≤ 5	19.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[4,6-di(propan-2-yl)-2-propylsulfonylpyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[3,5-di(propan-2-yl)-4-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-ethenyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[4,6-di(propan-2-yl)-2-propylsulfonylpyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[3,5-di(propan-2-yl)-4-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-ethenyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one (CID 157115173) is 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[4,6-di(propan-2-yl)-2-propylsulfonylpyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[3,5-di(propan-2-yl)-4-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-ethenyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[4,6-di(propan-2-yl)-2-propylsulfonylpyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[3,5-di(propan-2-yl)-4-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-ethenyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[4,6-di(propan-2-yl)-2-propylsulfonylpyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[3,5-di(propan-2-yl)-4-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-ethenyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C(C)C)cncc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C(C)C)nc(C=C)nc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C(C)C)nc(S(=O)(=O)CCC)nc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C.

What is the InChIKey of 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[4,6-di(propan-2-yl)-2-propylsulfonylpyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[3,5-di(propan-2-yl)-4-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-ethenyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is AHHVIJQBQNUOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41ClFN7O4S.C34H37ClFN7O2.C33H36ClFN6O2/c1-9-15-49(47,48)34-39-28(19(3)4)31(29(40-34)20(5)6)44-33-24(16-25(36)30(38-33)23-13-11-12-14-26(23)37)32(41-35(44)46)43-18-21(7)42(17-22(43)8)27(45)10-2;1-9-26-37-28(18(3)4)31(29(38-26)19(5)6)43-33-23(15-24(35)30(39-33)22-13-11-12-14-25(22)36)32(40-34(43)45)42-17-20(7)41(16-21(42)8)27(44)10-2;1-8-28(42)39-16-21(7)40(17-20(39)6)31-23-13-26(34)29(22-11-9-10-12-27(22)35)37-32(23)41(33(43)38-31)30-24(18(2)3)14-36-15-25(30)19(4)5/h10-14,16,19-22H,2,9,15,17-18H2,1,3-8H3;9-15,18-21H,1-2,16-17H2,3-8H3;8-15,18-21H,1,16-17H2,2-7H3.

What are the key properties of 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[4,6-di(propan-2-yl)-2-propylsulfonylpyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[3,5-di(propan-2-yl)-4-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-ethenyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[4,6-di(propan-2-yl)-2-propylsulfonylpyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[3,5-di(propan-2-yl)-4-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-ethenyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1943.59 g/mol, XLogP of 19.10, 22 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[4,6-di(propan-2-yl)-2-propylsulfonylpyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[3,5-di(propan-2-yl)-4-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2-ethenyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 157115173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).