1-[4-[6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-1-(2,4-dimethyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)-2-methylidene-1-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one

C89H96Cl4F3N19O3 — CID 159146364

About 1-[4-[6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-1-(2,4-dimethyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)-2-methylidene-1-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one

1-[4-[6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-1-(2,4-dimethyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)-2-methylidene-1-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one (PubChem CID 159146364) has the molecular formula C89H96Cl4F3N19O3 and a molecular weight of 1678.68 g/mol. Its IUPAC name is 1-[4-[6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-1-(2,4-dimethyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)-2-methylidene-1-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[4-[6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-1-(2,4-dimethyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)-2-methylidene-1-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
• PubChem CID: 159146364
• Molecular Formula: C89H96Cl4F3N19O3
• Molecular Weight: 1678.68 g/mol
• Exact Mass: 1675.66
• IUPAC Name: 1-[4-[6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-1-(2,4-dimethyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)-2-methylidene-1-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CC(C)N(C2=NC(=C)N(C(C)C)c3nc(-c4ccccc4F)c(Cl)cc32)CC1C.C=CC(=O)N1CC(C)N(C2=NC(=C)N(c3c(C)nc(C)nc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc32)CC1C.C=CC(=O)N1CC(C)N(C2=NC(=C)N(c3c(C)nc(Cl)nc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc32)CC1C
• InChI: InChI=1S/C32H35ClFN7O.C31H32Cl2FN7O.C26H29ClFN5O/c1-9-27(42)39-15-19(5)40(16-18(39)4)31-24-14-25(33)29(23-12-10-11-13-26(23)34)38-32(24)41(22(8)37-31)30-20(6)35-21(7)36-28(30)17(2)3;1-8-25(42)39-14-18(5)40(15-17(39)4)29-22-13-23(32)27(21-11-9-10-12-24(21)34)37-30(22)41(20(7)36-29)28-19(6)35-31(33)38-26(28)16(2)3;1-7-23(34)31-13-17(5)32(14-16(31)4)25-20-12-21(27)24(19-10-8-9-11-22(19)28)30-26(20)33(15(2)3)18(6)29-25/h9-14,17-19H,1,8,15-16H2,2-7H3;8-13,16-18H,1,7,14-15H2,2-6H3;7-12,15-17H,1,6,13-14H2,2-5H3
• InChIKey: KISQGNVEECOGJX-UHFFFAOYSA-N
• XLogP: 18.54
• TPSA: 207.68 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1678.68
LogP ≤ 5	18.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-1-(2,4-dimethyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)-2-methylidene-1-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[4-[6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-1-(2,4-dimethyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)-2-methylidene-1-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one (CID 159146364) is 1-[4-[6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-1-(2,4-dimethyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)-2-methylidene-1-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[4-[6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-1-(2,4-dimethyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)-2-methylidene-1-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[4-[6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-1-(2,4-dimethyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)-2-methylidene-1-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC(C)N(C2=NC(=C)N(C(C)C)c3nc(-c4ccccc4F)c(Cl)cc32)CC1C.C=CC(=O)N1CC(C)N(C2=NC(=C)N(c3c(C)nc(C)nc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc32)CC1C.C=CC(=O)N1CC(C)N(C2=NC(=C)N(c3c(C)nc(Cl)nc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc32)CC1C.

What is the InChIKey of 1-[4-[6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-1-(2,4-dimethyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)-2-methylidene-1-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one?

The InChIKey is KISQGNVEECOGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClFN7O.C31H32Cl2FN7O.C26H29ClFN5O/c1-9-27(42)39-15-19(5)40(16-18(39)4)31-24-14-25(33)29(23-12-10-11-13-26(23)34)38-32(24)41(22(8)37-31)30-20(6)35-21(7)36-28(30)17(2)3;1-8-25(42)39-14-18(5)40(15-17(39)4)29-22-13-23(32)27(21-11-9-10-12-24(21)34)37-30(22)41(20(7)36-29)28-19(6)35-31(33)38-26(28)16(2)3;1-7-23(34)31-13-17(5)32(14-16(31)4)25-20-12-21(27)24(19-10-8-9-11-22(19)28)30-26(20)33(15(2)3)18(6)29-25/h9-14,17-19H,1,8,15-16H2,2-7H3;8-13,16-18H,1,7,14-15H2,2-6H3;7-12,15-17H,1,6,13-14H2,2-5H3.

What are the key properties of 1-[4-[6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-1-(2,4-dimethyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)-2-methylidene-1-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one?

1-[4-[6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-1-(2,4-dimethyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)-2-methylidene-1-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one has a molecular weight of 1678.68 g/mol, XLogP of 18.54, 11 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-1-(2,4-dimethyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)-2-methylidenepyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)-2-methylidene-1-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 159146364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).