1-(1-benzofuran-5-yl)-4,4-bis[(1,5-dimethylpyrazol-3-yl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-4,4-bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-4-ylmethyl)nonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-5-ylmethyl)nonane-3,5-dione;methane

C120H146N10O14S4 — CID 157430185

About 1-(1-benzofuran-5-yl)-4,4-bis[(1,5-dimethylpyrazol-3-yl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-4,4-bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-4-ylmethyl)nonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-5-ylmethyl)nonane-3,5-dione;methane

1-(1-benzofuran-5-yl)-4,4-bis[(1,5-dimethylpyrazol-3-yl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-4,4-bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-4-ylmethyl)nonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-5-ylmethyl)nonane-3,5-dione;methane (PubChem CID 157430185) has the molecular formula C120H146N10O14S4 and a molecular weight of 2080.81 g/mol. Its IUPAC name is 1-(1-benzofuran-5-yl)-4,4-bis[(1,5-dimethylpyrazol-3-yl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-4,4-bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-4-ylmethyl)nonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-5-ylmethyl)nonane-3,5-dione;methane.

Molecular Properties

• Compound Name: 1-(1-benzofuran-5-yl)-4,4-bis[(1,5-dimethylpyrazol-3-yl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-4,4-bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-4-ylmethyl)nonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-5-ylmethyl)nonane-3,5-dione;methane
• PubChem CID: 157430185
• Molecular Formula: C120H146N10O14S4
• Molecular Weight: 2080.81 g/mol
• Exact Mass: 2078.99
• IUPAC Name: 1-(1-benzofuran-5-yl)-4,4-bis[(1,5-dimethylpyrazol-3-yl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-4,4-bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-4-ylmethyl)nonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-5-ylmethyl)nonane-3,5-dione;methane
• SMILES: C.C.CC(C)CCC(=O)C(Cc1cncs1)(Cc1cncs1)C(=O)CCc1ccc2occc2c1.CC(C)CCC(=O)C(Cc1cscn1)(Cc1cscn1)C(=O)CCc1ccc2occc2c1.COc1c(C)cnc(CC(Cc2ncc(C)c(OC)c2C)(C(=O)CCc2ccc3occc3c2)C(=O)CCC(C)C)c1C.Cc1cc(CC(Cc2cc(C)n(C)n2)(C(=O)CCc2ccc3occc3c2)C(=O)CCC(C)C)nn1C
• InChI: InChI=1S/C36H44N2O5.C30H38N4O3.2C26H28N2O3S2.2CH4/c1-22(2)9-13-32(39)36(18-29-25(5)34(41-7)23(3)20-37-29,19-30-26(6)35(42-8)24(4)21-38-30)33(40)14-11-27-10-12-31-28(17-27)15-16-43-31;1-20(2)7-11-28(35)30(18-25-15-21(3)33(5)31-25,19-26-16-22(4)34(6)32-26)29(36)12-9-23-8-10-27-24(17-23)13-14-37-27;1-18(2)3-7-24(29)26(12-21-14-32-16-27-21,13-22-15-33-17-28-22)25(30)8-5-19-4-6-23-20(11-19)9-10-31-23;1-18(2)3-7-24(29)26(12-21-14-27-16-32-21,13-22-15-28-17-33-22)25(30)8-5-19-4-6-23-20(11-19)9-10-31-23;;/h10,12,15-17,20-22H,9,11,13-14,18-19H2,1-8H3;8,10,13-17,20H,7,9,11-12,18-19H2,1-6H3;2*4,6,9-11,14-18H,3,5,7-8,12-13H2,1-2H3;2*1H4
• InChIKey: BQKYERYRYJAWSH-UHFFFAOYSA-N
• XLogP: 26.87
• TPSA: 320.56 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 50
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2080.81
LogP ≤ 5	26.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-yl)-4,4-bis[(1,5-dimethylpyrazol-3-yl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-4,4-bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-4-ylmethyl)nonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-5-ylmethyl)nonane-3,5-dione;methane?

The IUPAC name of 1-(1-benzofuran-5-yl)-4,4-bis[(1,5-dimethylpyrazol-3-yl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-4,4-bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-4-ylmethyl)nonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-5-ylmethyl)nonane-3,5-dione;methane (CID 157430185) is 1-(1-benzofuran-5-yl)-4,4-bis[(1,5-dimethylpyrazol-3-yl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-4,4-bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-4-ylmethyl)nonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-5-ylmethyl)nonane-3,5-dione;methane.

What is the SMILES notation for 1-(1-benzofuran-5-yl)-4,4-bis[(1,5-dimethylpyrazol-3-yl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-4,4-bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-4-ylmethyl)nonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-5-ylmethyl)nonane-3,5-dione;methane?

The canonical SMILES for 1-(1-benzofuran-5-yl)-4,4-bis[(1,5-dimethylpyrazol-3-yl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-4,4-bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-4-ylmethyl)nonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-5-ylmethyl)nonane-3,5-dione;methane is C.C.CC(C)CCC(=O)C(Cc1cncs1)(Cc1cncs1)C(=O)CCc1ccc2occc2c1.CC(C)CCC(=O)C(Cc1cscn1)(Cc1cscn1)C(=O)CCc1ccc2occc2c1.COc1c(C)cnc(CC(Cc2ncc(C)c(OC)c2C)(C(=O)CCc2ccc3occc3c2)C(=O)CCC(C)C)c1C.Cc1cc(CC(Cc2cc(C)n(C)n2)(C(=O)CCc2ccc3occc3c2)C(=O)CCC(C)C)nn1C.

What is the InChIKey of 1-(1-benzofuran-5-yl)-4,4-bis[(1,5-dimethylpyrazol-3-yl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-4,4-bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-4-ylmethyl)nonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-5-ylmethyl)nonane-3,5-dione;methane?

The InChIKey is BQKYERYRYJAWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N2O5.C30H38N4O3.2C26H28N2O3S2.2CH4/c1-22(2)9-13-32(39)36(18-29-25(5)34(41-7)23(3)20-37-29,19-30-26(6)35(42-8)24(4)21-38-30)33(40)14-11-27-10-12-31-28(17-27)15-16-43-31;1-20(2)7-11-28(35)30(18-25-15-21(3)33(5)31-25,19-26-16-22(4)34(6)32-26)29(36)12-9-23-8-10-27-24(17-23)13-14-37-27;1-18(2)3-7-24(29)26(12-21-14-32-16-27-21,13-22-15-33-17-28-22)25(30)8-5-19-4-6-23-20(11-19)9-10-31-23;1-18(2)3-7-24(29)26(12-21-14-27-16-32-21,13-22-15-28-17-33-22)25(30)8-5-19-4-6-23-20(11-19)9-10-31-23;;/h10,12,15-17,20-22H,9,11,13-14,18-19H2,1-8H3;8,10,13-17,20H,7,9,11-12,18-19H2,1-6H3;2*4,6,9-11,14-18H,3,5,7-8,12-13H2,1-2H3;2*1H4.

What are the key properties of 1-(1-benzofuran-5-yl)-4,4-bis[(1,5-dimethylpyrazol-3-yl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-4,4-bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-4-ylmethyl)nonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-5-ylmethyl)nonane-3,5-dione;methane?

1-(1-benzofuran-5-yl)-4,4-bis[(1,5-dimethylpyrazol-3-yl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-4,4-bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-4-ylmethyl)nonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-5-ylmethyl)nonane-3,5-dione;methane has a molecular weight of 2080.81 g/mol, XLogP of 26.87, 50 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzofuran-5-yl)-4,4-bis[(1,5-dimethylpyrazol-3-yl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-4,4-bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-8-methylnonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-4-ylmethyl)nonane-3,5-dione;1-(1-benzofuran-5-yl)-8-methyl-4,4-bis(1,3-thiazol-5-ylmethyl)nonane-3,5-dione;methane is sourced from PubChem (CID 157430185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).