7-N-[(4-amino-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C25H27N7O4 — CID 143587901

About 7-N-[(4-amino-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(4-amino-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 143587901) has the molecular formula C25H27N7O4 and a molecular weight of 489.54 g/mol. Its IUPAC name is 7-N-[(4-amino-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

• Compound Name: 7-N-[(4-amino-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 143587901
• Molecular Formula: C25H27N7O4
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.21
• IUPAC Name: 7-N-[(4-amino-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: NC12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5oc(=O)[nH]c5c4)nc4ccnn34)(CC1)CC2
• InChI: InChI=1S/C25H27N7O4/c26-25-7-4-24(5-8-25,6-9-25)14-28-22(34)18-12-17(30-20-3-10-29-32(18)20)21(33)27-13-15-1-2-19-16(11-15)31-23(35)36-19/h1-3,10-12H,4-9,13-14,26H2,(H,27,33)(H,28,34)(H,31,35)
• InChIKey: WCGAMPNDGACQAR-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 160.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-N-[(4-amino-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The IUPAC name of 7-N-[(4-amino-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 143587901) is 7-N-[(4-amino-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

What is the SMILES notation for 7-N-[(4-amino-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The canonical SMILES for 7-N-[(4-amino-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is NC12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5oc(=O)[nH]c5c4)nc4ccnn34)(CC1)CC2.

What is the InChIKey of 7-N-[(4-amino-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The InChIKey is WCGAMPNDGACQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O4/c26-25-7-4-24(5-8-25,6-9-25)14-28-22(34)18-12-17(30-20-3-10-29-32(18)20)21(33)27-13-15-1-2-19-16(11-15)31-23(35)36-19/h1-3,10-12H,4-9,13-14,26H2,(H,27,33)(H,28,34)(H,31,35).

What are the key properties of 7-N-[(4-amino-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

7-N-[(4-amino-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 489.54 g/mol, XLogP of 1.88, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[(4-amino-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 143587901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).