5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide

C21H21N7O4S — CID 137092804

About 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide

5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 137092804) has the molecular formula C21H21N7O4S and a molecular weight of 467.51 g/mol. Its IUPAC name is 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
• PubChem CID: 137092804
• Molecular Formula: C21H21N7O4S
• Molecular Weight: 467.51 g/mol
• Exact Mass: 467.14
• IUPAC Name: 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
• SMILES: COCCNC(=O)c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1
• InChI: InChI=1S/C21H21N7O4S/c1-32-7-6-22-20(30)16-5-4-15(33-16)13-9-17(24-12-2-3-12)28-18(25-13)11(10-23-28)8-14-19(29)27-21(31)26-14/h4-5,8-10,12,29H,2-3,6-7H2,1H3,(H,22,30)(H2,26,27,31)/b11-8?,24-17+
• InChIKey: HIUFFXVHRMYGKG-BFGJYOPOSA-N
• XLogP: 0.17
• TPSA: 149.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.51
LogP ≤ 5	0.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide?

The IUPAC name of 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 137092804) is 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide.

What is the SMILES notation for 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide?

The canonical SMILES for 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCNC(=O)c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1.

What is the InChIKey of 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide?

The InChIKey is HIUFFXVHRMYGKG-BFGJYOPOSA-N. The full InChI is InChI=1S/C21H21N7O4S/c1-32-7-6-22-20(30)16-5-4-15(33-16)13-9-17(24-12-2-3-12)28-18(25-13)11(10-23-28)8-14-19(29)27-21(31)26-14/h4-5,8-10,12,29H,2-3,6-7H2,1H3,(H,22,30)(H2,26,27,31)/b11-8?,24-17+.

What are the key properties of 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide?

5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 467.51 g/mol, XLogP of 0.17, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 137092804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).