3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;(E)-5-methoxy-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone

C147H132N18O14S2 — CID 158944884

About 3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;(E)-5-methoxy-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone

3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;(E)-5-methoxy-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone (PubChem CID 158944884) has the molecular formula C147H132N18O14S2 and a molecular weight of 2438.92 g/mol. Its IUPAC name is 3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;(E)-5-methoxy-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;(E)-5-methoxy-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone
• PubChem CID: 158944884
• Molecular Formula: C147H132N18O14S2
• Molecular Weight: 2438.92 g/mol
• Exact Mass: 2436.96
• IUPAC Name: 3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;(E)-5-methoxy-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone
• SMILES: C/C=C/S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.C=CC(=O)NCc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.C=CS(=O)(=O)Cc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.CC(=O)C(=[N+]=[N-])C(=O)Cc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.COC/C=C/C(=O)Cc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1
• InChI: InChI=1S/C31H29N3O3.C30H25N5O3.C29H26N4O2.C29H27N3O3S.C28H25N3O3S/c1-22-7-8-24(17-27(22)20-31-33-15-13-29(34-31)26-5-3-14-32-21-26)19-30(36)25-11-9-23(10-12-25)18-28(35)6-4-16-37-2;1-19-5-6-22(14-25(19)17-29-33-13-11-26(34-29)24-4-3-12-32-18-24)16-27(37)23-9-7-21(8-10-23)15-28(38)30(35-31)20(2)36;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;1-3-15-36(34,35)20-22-8-10-24(11-9-22)28(33)17-23-7-6-21(2)26(16-23)18-29-31-14-12-27(32-29)25-5-4-13-30-19-25;1-3-35(33,34)19-21-8-10-23(11-9-21)27(32)16-22-7-6-20(2)25(15-22)17-28-30-14-12-26(31-28)24-5-4-13-29-18-24/h3-15,17,21H,16,18-20H2,1-2H3;3-14,18H,15-17H2,1-2H3;3-15,19H,1,16-18H2,2H3,(H,32,35);3-16,19H,17-18,20H2,1-2H3;3-15,18H,1,16-17,19H2,2H3/b6-4+;;;15-3+
• InChIKey: JKRVGPLJIWHUBN-DGDSYDCASA-N
• XLogP: 24.31
• TPSA: 472.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 48
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2438.92
LogP ≤ 5	24.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;(E)-5-methoxy-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone?

The IUPAC name of 3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;(E)-5-methoxy-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone (CID 158944884) is 3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;(E)-5-methoxy-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone.

What is the SMILES notation for 3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;(E)-5-methoxy-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone?

The canonical SMILES for 3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;(E)-5-methoxy-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone is C/C=C/S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.C=CC(=O)NCc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.C=CS(=O)(=O)Cc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.CC(=O)C(=[N+]=[N-])C(=O)Cc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.COC/C=C/C(=O)Cc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.

What is the InChIKey of 3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;(E)-5-methoxy-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone?

The InChIKey is JKRVGPLJIWHUBN-DGDSYDCASA-N. The full InChI is InChI=1S/C31H29N3O3.C30H25N5O3.C29H26N4O2.C29H27N3O3S.C28H25N3O3S/c1-22-7-8-24(17-27(22)20-31-33-15-13-29(34-31)26-5-3-14-32-21-26)19-30(36)25-11-9-23(10-12-25)18-28(35)6-4-16-37-2;1-19-5-6-22(14-25(19)17-29-33-13-11-26(34-29)24-4-3-12-32-18-24)16-27(37)23-9-7-21(8-10-23)15-28(38)30(35-31)20(2)36;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;1-3-15-36(34,35)20-22-8-10-24(11-9-22)28(33)17-23-7-6-21(2)26(16-23)18-29-31-14-12-27(32-29)25-5-4-13-30-19-25;1-3-35(33,34)19-21-8-10-23(11-9-21)27(32)16-22-7-6-20(2)25(15-22)17-28-30-14-12-26(31-28)24-5-4-13-29-18-24/h3-15,17,21H,16,18-20H2,1-2H3;3-14,18H,15-17H2,1-2H3;3-15,19H,1,16-18H2,2H3,(H,32,35);3-16,19H,17-18,20H2,1-2H3;3-15,18H,1,16-17,19H2,2H3/b6-4+;;;15-3+;.

What are the key properties of 3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;(E)-5-methoxy-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone?

3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;(E)-5-methoxy-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone has a molecular weight of 2438.92 g/mol, XLogP of 24.31, 48 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-diazo-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pentane-2,4-dione;1-[4-(ethenylsulfonylmethyl)phenyl]-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]ethanone;(E)-5-methoxy-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;N-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]prop-2-enamide;2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]-1-[4-[[(E)-prop-1-enyl]sulfonylmethyl]phenyl]ethanone is sourced from PubChem (CID 158944884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).