8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide;8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid

C28H33N5O7S2 — CID 159575713

About 8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide;8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid

8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide;8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid (PubChem CID 159575713) has the molecular formula C28H33N5O7S2 and a molecular weight of 615.73 g/mol. Its IUPAC name is 8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide;8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid.

Molecular Properties

• Compound Name: 8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide;8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid
• PubChem CID: 159575713
• Molecular Formula: C28H33N5O7S2
• Molecular Weight: 615.73 g/mol
• Exact Mass: 615.18
• IUPAC Name: 8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide;8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid
• SMILES: COCCOc1sc(C(=O)O)c2c1-c1c(cnn1C)CC2.COCCOc1sc(C(N)=O)c2c1-c1c(cnn1C)CC2
• InChI: InChI=1S/C14H17N3O3S.C14H16N2O4S/c1-17-11-8(7-16-17)3-4-9-10(11)14(20-6-5-19-2)21-12(9)13(15)18;1-16-11-8(7-15-16)3-4-9-10(11)14(20-6-5-19-2)21-12(9)13(17)18/h7H,3-6H2,1-2H3,(H2,15,18);7H,3-6H2,1-2H3,(H,17,18)
• InChIKey: MIJLEVGSUFSZKA-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 152.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.73
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide;8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid?

The IUPAC name of 8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide;8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid (CID 159575713) is 8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide;8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid.

What is the SMILES notation for 8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide;8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid?

The canonical SMILES for 8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide;8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid is COCCOc1sc(C(=O)O)c2c1-c1c(cnn1C)CC2.COCCOc1sc(C(N)=O)c2c1-c1c(cnn1C)CC2.

What is the InChIKey of 8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide;8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid?

The InChIKey is MIJLEVGSUFSZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S.C14H16N2O4S/c1-17-11-8(7-16-17)3-4-9-10(11)14(20-6-5-19-2)21-12(9)13(15)18;1-16-11-8(7-15-16)3-4-9-10(11)14(20-6-5-19-2)21-12(9)13(17)18/h7H,3-6H2,1-2H3,(H2,15,18);7H,3-6H2,1-2H3,(H,17,18).

What are the key properties of 8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide;8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid?

8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide;8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid has a molecular weight of 615.73 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide;8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid is sourced from PubChem (CID 159575713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).