6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-9-(1H-pyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one

C25H25N3O7 — CID 143579240

About 6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-9-(1H-pyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one

6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-9-(1H-pyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one (PubChem CID 143579240) has the molecular formula C25H25N3O7 and a molecular weight of 479.49 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-9-(1H-pyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one.

Molecular Properties

• Compound Name: 6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-9-(1H-pyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
• PubChem CID: 143579240
• Molecular Formula: C25H25N3O7
• Molecular Weight: 479.49 g/mol
• Exact Mass: 479.17
• IUPAC Name: 6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-9-(1H-pyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
• SMILES: COc1ccc2c(c1OC)C(=O)OC2[C@H]1c2c(c(-c3cn[nH]c3)c3c(c2OC)OCO3)CCN1C
• InChI: InChI=1S/C25H25N3O7/c1-28-8-7-13-16(12-9-26-27-10-12)23-24(34-11-33-23)22(32-4)17(13)19(28)20-14-5-6-15(30-2)21(31-3)18(14)25(29)35-20/h5-6,9-10,19-20H,7-8,11H2,1-4H3,(H,26,27)/t19-,20?/m1/s1
• InChIKey: YCFZSYSKXYWEJT-FIWHBWSRSA-N
• XLogP: 3.27
• TPSA: 104.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.49
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-9-(1H-pyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one?

The IUPAC name of 6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-9-(1H-pyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one (CID 143579240) is 6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-9-(1H-pyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one.

What is the SMILES notation for 6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-9-(1H-pyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one?

The canonical SMILES for 6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-9-(1H-pyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one is COc1ccc2c(c1OC)C(=O)OC2[C@H]1c2c(c(-c3cn[nH]c3)c3c(c2OC)OCO3)CCN1C.

What is the InChIKey of 6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-9-(1H-pyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one?

The InChIKey is YCFZSYSKXYWEJT-FIWHBWSRSA-N. The full InChI is InChI=1S/C25H25N3O7/c1-28-8-7-13-16(12-9-26-27-10-12)23-24(34-11-33-23)22(32-4)17(13)19(28)20-14-5-6-15(30-2)21(31-3)18(14)25(29)35-20/h5-6,9-10,19-20H,7-8,11H2,1-4H3,(H,26,27)/t19-,20?/m1/s1.

What are the key properties of 6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-9-(1H-pyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one?

6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-9-(1H-pyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one has a molecular weight of 479.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-9-(1H-pyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 143579240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).