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

C26H23FN6O5 — CID 59463073

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

7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59463073) has the molecular formula C26H23FN6O5 and a molecular weight of 518.51 g/mol. Its IUPAC name is 7-N-[[3-(1-fluoroethoxy)phenyl]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-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 59463073
• Molecular Formula: C26H23FN6O5
• Molecular Weight: 518.51 g/mol
• Exact Mass: 518.17
• IUPAC Name: 7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: CC(F)Oc1cccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3ccnn23)c1
• InChI: InChI=1S/C26H23FN6O5/c1-15(27)37-18-5-3-4-16(10-18)13-29-25(35)21-12-19(31-23-8-9-30-33(21)23)24(34)28-14-17-6-7-22-20(11-17)32(2)26(36)38-22/h3-12,15H,13-14H2,1-2H3,(H,28,34)(H,29,35)
• InChIKey: CBIDASDSSGXIKC-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 132.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.51
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-N-[[3-(1-fluoroethoxy)phenyl]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-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59463073) is 7-N-[[3-(1-fluoroethoxy)phenyl]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-[[3-(1-fluoroethoxy)phenyl]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-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(F)Oc1cccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3ccnn23)c1.

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

The InChIKey is CBIDASDSSGXIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O5/c1-15(27)37-18-5-3-4-16(10-18)13-29-25(35)21-12-19(31-23-8-9-30-33(21)23)24(34)28-14-17-6-7-22-20(11-17)32(2)26(36)38-22/h3-12,15H,13-14H2,1-2H3,(H,28,34)(H,29,35).

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

7-N-[[3-(1-fluoroethoxy)phenyl]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 518.51 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[[3-(1-fluoroethoxy)phenyl]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 59463073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).