1-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C19H18N6OS3 — CID 24581099

About 1-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24581099) has the molecular formula C19H18N6OS3 and a molecular weight of 442.60 g/mol. Its IUPAC name is 1-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 24581099
• Molecular Formula: C19H18N6OS3
• Molecular Weight: 442.60 g/mol
• Exact Mass: 442.07
• IUPAC Name: 1-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: C=CCSc1nnc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)s1
• InChI: InChI=1S/C19H18N6OS3/c1-4-7-28-19-24-23-18(29-19)22-17(26)12-9-14(15-6-5-8-27-15)21-16-13(12)10-20-25(16)11(2)3/h4-6,8-11H,1,7H2,2-3H3,(H,22,23,26)
• InChIKey: SVZJRAFPROADGG-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.60
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 24581099) is 1-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is C=CCSc1nnc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)s1.

What is the InChIKey of 1-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is SVZJRAFPROADGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS3/c1-4-7-28-19-24-23-18(29-19)22-17(26)12-9-14(15-6-5-8-27-15)21-16-13(12)10-20-25(16)11(2)3/h4-6,8-11H,1,7H2,2-3H3,(H,22,23,26).

What are the key properties of 1-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

1-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 442.60 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-propan-2-yl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24581099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).