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

C25H18F2N6O5 — CID 70845653

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

7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 70845653) has the molecular formula C25H18F2N6O5 and a molecular weight of 520.45 g/mol. Its IUPAC name is 7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-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-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 70845653
• Molecular Formula: C25H18F2N6O5
• Molecular Weight: 520.45 g/mol
• Exact Mass: 520.13
• IUPAC Name: 7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: CC(=O)c1cc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)ccc1F
• InChI: InChI=1S/C25H18F2N6O5/c1-12(34)15-6-13(2-4-16(15)26)9-29-24(36)20-8-19(31-22-17(27)11-30-33(20)22)23(35)28-10-14-3-5-21-18(7-14)32-25(37)38-21/h2-8,11H,9-10H2,1H3,(H,28,35)(H,29,36)(H,32,37)
• InChIKey: GCXSDLMGTRPSSK-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 151.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.45
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-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-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 70845653) is 7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-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-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-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-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)c1cc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)ccc1F.

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

The InChIKey is GCXSDLMGTRPSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N6O5/c1-12(34)15-6-13(2-4-16(15)26)9-29-24(36)20-8-19(31-22-17(27)11-30-33(20)22)23(35)28-10-14-3-5-21-18(7-14)32-25(37)38-21/h2-8,11H,9-10H2,1H3,(H,28,35)(H,29,36)(H,32,37).

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

7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 520.45 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 70845653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).