5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid

C30H25N9O5S2 — CID 160620609

About 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid

5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid (PubChem CID 160620609) has the molecular formula C30H25N9O5S2 and a molecular weight of 655.72 g/mol. Its IUPAC name is 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
• PubChem CID: 160620609
• Molecular Formula: C30H25N9O5S2
• Molecular Weight: 655.72 g/mol
• Exact Mass: 655.14
• IUPAC Name: 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
• SMILES: NC(=O)c1ccc(-c2cc(NC3CC3)n3ncc(C=O)c3n2)s1.O=Cc1cnn2c(NC3CC3)cc(-c3ccc(C(=O)O)s3)nc12
• InChI: InChI=1S/C15H13N5O2S.C15H12N4O3S/c16-14(22)12-4-3-11(23-12)10-5-13(18-9-1-2-9)20-15(19-10)8(7-21)6-17-20;20-7-8-6-16-19-13(17-9-1-2-9)5-10(18-14(8)19)11-3-4-12(23-11)15(21)22/h3-7,9,18H,1-2H2,(H2,16,22);3-7,9,17H,1-2H2,(H,21,22)
• InChIKey: RGQOGAOOUSQYSI-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 198.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.72
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid?

The IUPAC name of 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid (CID 160620609) is 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid.

What is the SMILES notation for 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid?

The canonical SMILES for 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid is NC(=O)c1ccc(-c2cc(NC3CC3)n3ncc(C=O)c3n2)s1.O=Cc1cnn2c(NC3CC3)cc(-c3ccc(C(=O)O)s3)nc12.

What is the InChIKey of 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid?

The InChIKey is RGQOGAOOUSQYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S.C15H12N4O3S/c16-14(22)12-4-3-11(23-12)10-5-13(18-9-1-2-9)20-15(19-10)8(7-21)6-17-20;20-7-8-6-16-19-13(17-9-1-2-9)5-10(18-14(8)19)11-3-4-12(23-11)15(21)22/h3-7,9,18H,1-2H2,(H2,16,22);3-7,9,17H,1-2H2,(H,21,22).

What are the key properties of 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid?

5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid has a molecular weight of 655.72 g/mol, XLogP of 4.49, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 160620609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).