5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one

C24H22N6O4S2 — CID 157296043

About 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one

5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one (PubChem CID 157296043) has the molecular formula C24H22N6O4S2 and a molecular weight of 522.61 g/mol. Its IUPAC name is 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one.

Molecular Properties

• Compound Name: 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one
• PubChem CID: 157296043
• Molecular Formula: C24H22N6O4S2
• Molecular Weight: 522.61 g/mol
• Exact Mass: 522.11
• IUPAC Name: 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one
• SMILES: COc1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.COc1cc2c(s1)C(=O)NC2
• InChI: InChI=1S/C17H15N5O2S.C7H7NO2S/c1-24-14-7-10-8-21(17(23)15(10)25-14)13-4-2-3-12(19-13)16-20-18-9-22(16)11-5-6-11;1-10-5-2-4-3-8-7(9)6(4)11-5/h2-4,7,9,11H,5-6,8H2,1H3;2H,3H2,1H3,(H,8,9)
• InChIKey: BBIWXLZUUMAKDN-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 111.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.61
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one?

The IUPAC name of 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one (CID 157296043) is 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one.

What is the SMILES notation for 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one?

The canonical SMILES for 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one is COc1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.COc1cc2c(s1)C(=O)NC2.

What is the InChIKey of 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one?

The InChIKey is BBIWXLZUUMAKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S.C7H7NO2S/c1-24-14-7-10-8-21(17(23)15(10)25-14)13-4-2-3-12(19-13)16-20-18-9-22(16)11-5-6-11;1-10-5-2-4-3-8-7(9)6(4)11-5/h2-4,7,9,11H,5-6,8H2,1H3;2H,3H2,1H3,(H,8,9).

What are the key properties of 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one?

5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one has a molecular weight of 522.61 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one is sourced from PubChem (CID 157296043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).