6-chloro-7-(5-chloro-2-fluorophenyl)-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-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-[2-(1-hydroxyethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

C97H101Cl4F5N18O8 — CID 165050581

About 6-chloro-7-(5-chloro-2-fluorophenyl)-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-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-[2-(1-hydroxyethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

6-chloro-7-(5-chloro-2-fluorophenyl)-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-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-[2-(1-hydroxyethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 165050581) has the molecular formula C97H101Cl4F5N18O8 and a molecular weight of 1883.79 g/mol. Its IUPAC name is 6-chloro-7-(5-chloro-2-fluorophenyl)-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-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-[2-(1-hydroxyethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-7-(5-chloro-2-fluorophenyl)-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-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-[2-(1-hydroxyethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 165050581
• Molecular Formula: C97H101Cl4F5N18O8
• Molecular Weight: 1883.79 g/mol
• Exact Mass: 1880.67
• IUPAC Name: 6-chloro-7-(5-chloro-2-fluorophenyl)-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-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-[2-(1-hydroxyethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cc(Cl)ccc4F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cc(OC(F)(F)F)ccc4F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(CC)ccnc3C(C)C)c3nc(-c4ccccc4C(C)O)c(Cl)cc23)CC1C
• InChI: InChI=1S/C34H39ClN6O3.C32H31ClF4N6O3.C31H31Cl2FN6O2/c1-8-23-14-15-36-29(19(3)4)31(23)41-33-26(16-27(35)30(37-33)25-13-11-10-12-24(25)22(7)42)32(38-34(41)44)40-18-20(5)39(17-21(40)6)28(43)9-2;1-7-25(44)41-14-19(6)42(15-18(41)5)29-22-13-23(33)27(21-12-20(8-9-24(21)34)46-32(35,36)37)39-30(22)43(31(45)40-29)28-17(4)10-11-38-26(28)16(2)3;1-7-25(41)38-14-19(6)39(15-18(38)5)29-22-13-23(33)27(21-12-20(32)8-9-24(21)34)36-30(22)40(31(42)37-29)28-17(4)10-11-35-26(28)16(2)3/h9-16,19-22,42H,2,8,17-18H2,1,3-7H3;7-13,16,18-19H,1,14-15H2,2-6H3;7-13,16,18-19H,1,14-15H2,2-6H3
• InChIKey: PPDORKQFNMAKJZ-UHFFFAOYSA-N
• XLogP: 18.76
• TPSA: 282.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1883.79
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

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-(5-chloro-2-fluorophenyl)-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-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-[2-(1-hydroxyethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-7-(5-chloro-2-fluorophenyl)-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-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-[2-(1-hydroxyethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (CID 165050581) is 6-chloro-7-(5-chloro-2-fluorophenyl)-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-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-[2-(1-hydroxyethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.

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

The canonical SMILES for 6-chloro-7-(5-chloro-2-fluorophenyl)-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-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-[2-(1-hydroxyethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cc(Cl)ccc4F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cc(OC(F)(F)F)ccc4F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(CC)ccnc3C(C)C)c3nc(-c4ccccc4C(C)O)c(Cl)cc23)CC1C.

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

The InChIKey is PPDORKQFNMAKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39ClN6O3.C32H31ClF4N6O3.C31H31Cl2FN6O2/c1-8-23-14-15-36-29(19(3)4)31(23)41-33-26(16-27(35)30(37-33)25-13-11-10-12-24(25)22(7)42)32(38-34(41)44)40-18-20(5)39(17-21(40)6)28(43)9-2;1-7-25(44)41-14-19(6)42(15-18(41)5)29-22-13-23(33)27(21-12-20(8-9-24(21)34)46-32(35,36)37)39-30(22)43(31(45)40-29)28-17(4)10-11-38-26(28)16(2)3;1-7-25(41)38-14-19(6)39(15-18(38)5)29-22-13-23(33)27(21-12-20(32)8-9-24(21)34)36-30(22)40(31(42)37-29)28-17(4)10-11-35-26(28)16(2)3/h9-16,19-22,42H,2,8,17-18H2,1,3-7H3;7-13,16,18-19H,1,14-15H2,2-6H3;7-13,16,18-19H,1,14-15H2,2-6H3.

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

6-chloro-7-(5-chloro-2-fluorophenyl)-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-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-[2-(1-hydroxyethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1883.79 g/mol, XLogP of 18.76, 18 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-(5-chloro-2-fluorophenyl)-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-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-[2-(1-hydroxyethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 165050581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).