2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-[2-(difluoromethyl)phenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-5-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

C96H101ClF5N19O7 — CID 159345277

About 2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-[2-(difluoromethyl)phenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-5-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-[2-(difluoromethyl)phenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-5-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 159345277) has the molecular formula C96H101ClF5N19O7 and a molecular weight of 1763.43 g/mol. Its IUPAC name is 2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-[2-(difluoromethyl)phenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-5-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-[2-(difluoromethyl)phenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-5-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 159345277
• Molecular Formula: C96H101ClF5N19O7
• Molecular Weight: 1763.43 g/mol
• Exact Mass: 1761.77
• IUPAC Name: 2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-[2-(difluoromethyl)phenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-5-methylphenyl)-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(C)ccc4F)c(F)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4C(F)F)c(F)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4C(N)=O)c(Cl)cc23)CC1C
• InChI: InChI=1S/C32H34ClN7O3.C32H33F3N6O2.C32H34F2N6O2/c1-7-25(41)38-15-20(6)39(16-19(38)5)30-23-14-24(33)27(21-10-8-9-11-22(21)29(34)42)36-31(23)40(32(43)37-30)28-18(4)12-13-35-26(28)17(2)3;1-7-25(42)39-15-20(6)40(16-19(39)5)30-23-14-24(33)27(21-10-8-9-11-22(21)29(34)35)37-31(23)41(32(43)38-30)28-18(4)12-13-36-26(28)17(2)3;1-8-26(41)38-15-21(7)39(16-20(38)6)30-23-14-25(34)28(22-13-18(4)9-10-24(22)33)36-31(23)40(32(42)37-30)29-19(5)11-12-35-27(29)17(2)3/h7-14,17,19-20H,1,15-16H2,2-6H3,(H2,34,42);7-14,17,19-20,29H,1,15-16H2,2-6H3;8-14,17,20-21H,1,15-16H2,2-7H3
• InChIKey: LGQLGUHEVQDPCM-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 295.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1763.43
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-[2-(difluoromethyl)phenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-5-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-[2-(difluoromethyl)phenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-5-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (CID 159345277) is 2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-[2-(difluoromethyl)phenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-5-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.

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

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

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

The InChIKey is LGQLGUHEVQDPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClN7O3.C32H33F3N6O2.C32H34F2N6O2/c1-7-25(41)38-15-20(6)39(16-19(38)5)30-23-14-24(33)27(21-10-8-9-11-22(21)29(34)42)36-31(23)40(32(43)37-30)28-18(4)12-13-35-26(28)17(2)3;1-7-25(42)39-15-20(6)40(16-19(39)5)30-23-14-24(33)27(21-10-8-9-11-22(21)29(34)35)37-31(23)41(32(43)38-30)28-18(4)12-13-36-26(28)17(2)3;1-8-26(41)38-15-21(7)39(16-20(38)6)30-23-14-25(34)28(22-13-18(4)9-10-24(22)33)36-31(23)40(32(42)37-30)29-19(5)11-12-35-27(29)17(2)3/h7-14,17,19-20H,1,15-16H2,2-6H3,(H2,34,42);7-14,17,19-20,29H,1,15-16H2,2-6H3;8-14,17,20-21H,1,15-16H2,2-7H3.

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

2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-[2-(difluoromethyl)phenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-5-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1763.43 g/mol, XLogP of 16.07, 17 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-[2-(difluoromethyl)phenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-5-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 159345277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).