1-[6-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]naphthalen-2-yl]but-3-en-2-one;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]but-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;1-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]pyrrole-2,5-dione;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]-2-(trifluoromethyl)phenyl]but-3-en-2-one

C151H126F3N17O11 — CID 162144434

About 1-[6-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]naphthalen-2-yl]but-3-en-2-one;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]but-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;1-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]pyrrole-2,5-dione;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]-2-(trifluoromethyl)phenyl]but-3-en-2-one

1-[6-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]naphthalen-2-yl]but-3-en-2-one;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]but-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;1-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]pyrrole-2,5-dione;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]-2-(trifluoromethyl)phenyl]but-3-en-2-one (PubChem CID 162144434) has the molecular formula C151H126F3N17O11 and a molecular weight of 2411.77 g/mol. Its IUPAC name is 1-[6-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]naphthalen-2-yl]but-3-en-2-one;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]but-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;1-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]pyrrole-2,5-dione;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]-2-(trifluoromethyl)phenyl]but-3-en-2-one.

Molecular Properties

• Compound Name: 1-[6-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]naphthalen-2-yl]but-3-en-2-one;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]but-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;1-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]pyrrole-2,5-dione;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]-2-(trifluoromethyl)phenyl]but-3-en-2-one
• PubChem CID: 162144434
• Molecular Formula: C151H126F3N17O11
• Molecular Weight: 2411.77 g/mol
• Exact Mass: 2409.98
• IUPAC Name: 1-[6-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]naphthalen-2-yl]but-3-en-2-one;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]but-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;1-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]pyrrole-2,5-dione;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]-2-(trifluoromethyl)phenyl]but-3-en-2-one
• SMILES: C=CC(=O)Cc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.C=CC(=O)Cc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1C(F)(F)F.C=CC(=O)Cc1ccc2cc(C(=O)Cc3ccc(C)c(Cc4nccc(-c5cccnc5)n4)c3)ccc2c1.C=CC(=O)NCc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.Cc1ccc(CC(=O)c2ccc(CN3C(=O)C=CC3=O)cc2)cc1Cc1nccc(-c2cccnc2)n1
• InChI: InChI=1S/C33H27N3O2.C30H24F3N3O2.C30H24N4O3.C29H26N4O2.C29H25N3O2/c1-3-30(37)17-23-8-9-26-19-27(11-10-25(26)15-23)32(38)18-24-7-6-22(2)29(16-24)20-33-35-14-12-31(36-33)28-5-4-13-34-21-28;1-3-25(37)15-21-8-9-22(16-26(21)30(31,32)33)28(38)14-20-7-6-19(2)24(13-20)17-29-35-12-10-27(36-29)23-5-4-11-34-18-23;1-20-4-5-22(15-25(20)17-28-32-14-12-26(33-28)24-3-2-13-31-18-24)16-27(35)23-8-6-21(7-9-23)19-34-29(36)10-11-30(34)37;1-3-29(35)32-18-21-8-10-23(11-9-21)27(34)16-22-7-6-20(2)25(15-22)17-28-31-14-12-26(33-28)24-5-4-13-30-19-24;1-3-26(33)16-21-8-10-23(11-9-21)28(34)17-22-7-6-20(2)25(15-22)18-29-31-14-12-27(32-29)24-5-4-13-30-19-24/h3-16,19,21H,1,17-18,20H2,2H3;3-13,16,18H,1,14-15,17H2,2H3;2-15,18H,16-17,19H2,1H3;3-15,19H,1,16-18H2,2H3,(H,32,35);3-15,19H,1,16-18H2,2H3
• InChIKey: ZKJBWPMRWYIDOD-UHFFFAOYSA-N
• XLogP: 26.61
• TPSA: 396.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 44
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2411.77
LogP ≤ 5	26.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]naphthalen-2-yl]but-3-en-2-one;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]but-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;1-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]pyrrole-2,5-dione;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]-2-(trifluoromethyl)phenyl]but-3-en-2-one?

The IUPAC name of 1-[6-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]naphthalen-2-yl]but-3-en-2-one;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]but-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;1-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]pyrrole-2,5-dione;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]-2-(trifluoromethyl)phenyl]but-3-en-2-one (CID 162144434) is 1-[6-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]naphthalen-2-yl]but-3-en-2-one;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]but-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;1-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]pyrrole-2,5-dione;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]-2-(trifluoromethyl)phenyl]but-3-en-2-one.

What is the SMILES notation for 1-[6-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]naphthalen-2-yl]but-3-en-2-one;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]but-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;1-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]pyrrole-2,5-dione;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]-2-(trifluoromethyl)phenyl]but-3-en-2-one?

The canonical SMILES for 1-[6-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]naphthalen-2-yl]but-3-en-2-one;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]but-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;1-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]pyrrole-2,5-dione;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]-2-(trifluoromethyl)phenyl]but-3-en-2-one is C=CC(=O)Cc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.C=CC(=O)Cc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1C(F)(F)F.C=CC(=O)Cc1ccc2cc(C(=O)Cc3ccc(C)c(Cc4nccc(-c5cccnc5)n4)c3)ccc2c1.C=CC(=O)NCc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.Cc1ccc(CC(=O)c2ccc(CN3C(=O)C=CC3=O)cc2)cc1Cc1nccc(-c2cccnc2)n1.

What is the InChIKey of 1-[6-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]naphthalen-2-yl]but-3-en-2-one;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]but-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;1-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]pyrrole-2,5-dione;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]-2-(trifluoromethyl)phenyl]but-3-en-2-one?

The InChIKey is ZKJBWPMRWYIDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N3O2.C30H24F3N3O2.C30H24N4O3.C29H26N4O2.C29H25N3O2/c1-3-30(37)17-23-8-9-26-19-27(11-10-25(26)15-23)32(38)18-24-7-6-22(2)29(16-24)20-33-35-14-12-31(36-33)28-5-4-13-34-21-28;1-3-25(37)15-21-8-9-22(16-26(21)30(31,32)33)28(38)14-20-7-6-19(2)24(13-20)17-29-35-12-10-27(36-29)23-5-4-11-34-18-23;1-20-4-5-22(15-25(20)17-28-32-14-12-26(33-28)24-3-2-13-31-18-24)16-27(35)23-8-6-21(7-9-23)19-34-29(36)10-11-30(34)37;1-3-29(35)32-18-21-8-10-23(11-9-21)27(34)16-22-7-6-20(2)25(15-22)17-28-31-14-12-26(33-28)24-5-4-13-30-19-24;1-3-26(33)16-21-8-10-23(11-9-21)28(34)17-22-7-6-20(2)25(15-22)18-29-31-14-12-27(32-29)24-5-4-13-30-19-24/h3-16,19,21H,1,17-18,20H2,2H3;3-13,16,18H,1,14-15,17H2,2H3;2-15,18H,16-17,19H2,1H3;3-15,19H,1,16-18H2,2H3,(H,32,35);3-15,19H,1,16-18H2,2H3.

What are the key properties of 1-[6-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]naphthalen-2-yl]but-3-en-2-one;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]but-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;1-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]pyrrole-2,5-dione;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]-2-(trifluoromethyl)phenyl]but-3-en-2-one?

1-[6-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]naphthalen-2-yl]but-3-en-2-one;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]but-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;1-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]pyrrole-2,5-dione;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]-2-(trifluoromethyl)phenyl]but-3-en-2-one has a molecular weight of 2411.77 g/mol, XLogP of 26.61, 44 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]naphthalen-2-yl]but-3-en-2-one;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]but-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;1-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]pyrrole-2,5-dione;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]-2-(trifluoromethyl)phenyl]but-3-en-2-one is sourced from PubChem (CID 162144434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).