7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C26H23N7O4 — CID 70310769

About 7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 70310769) has the molecular formula C26H23N7O4 and a molecular weight of 497.52 g/mol. Its IUPAC name is 7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

• Compound Name: 7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 70310769
• Molecular Formula: C26H23N7O4
• Molecular Weight: 497.52 g/mol
• Exact Mass: 497.18
• IUPAC Name: 7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74N)n4nccc4n3)cc21
• InChI: InChI=1S/C26H23N7O4/c1-32-12-6-10(2-3-14(12)37-24(32)36)8-28-22(34)11-7-13(33-15(31-11)4-5-30-33)23(35)29-9-25-16-19-17(25)21-18(25)20(16)26(19,21)27/h2-7,16-21H,8-9,27H2,1H3,(H,28,34)(H,29,35)
• InChIKey: AYXHHYMJQJACKX-UHFFFAOYSA-N
• XLogP: 0.28
• TPSA: 149.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.52
LogP ≤ 5	0.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The IUPAC name of 7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 70310769) is 7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

What is the SMILES notation for 7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The canonical SMILES for 7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74N)n4nccc4n3)cc21.

What is the InChIKey of 7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The InChIKey is AYXHHYMJQJACKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O4/c1-32-12-6-10(2-3-14(12)37-24(32)36)8-28-22(34)11-7-13(33-15(31-11)4-5-30-33)23(35)29-9-25-16-19-17(25)21-18(25)20(16)26(19,21)27/h2-7,16-21H,8-9,27H2,1H3,(H,28,34)(H,29,35).

What are the key properties of 7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 497.52 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 70310769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).