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

C24H17ClF2N6O4 — CID 70309880

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

7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 70309880) has the molecular formula C24H17ClF2N6O4 and a molecular weight of 526.89 g/mol. Its IUPAC name is 7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoro-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-chloro-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 70309880
• Molecular Formula: C24H17ClF2N6O4
• Molecular Weight: 526.89 g/mol
• Exact Mass: 526.10
• IUPAC Name: 7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoro-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)NCc4ccc(F)c(Cl)c4)n4ncc(F)c4n3)cc21
• InChI: InChI=1S/C24H17ClF2N6O4/c1-32-18-7-13(3-5-20(18)37-24(32)36)10-28-22(34)17-8-19(33-21(31-17)16(27)11-30-33)23(35)29-9-12-2-4-15(26)14(25)6-12/h2-8,11H,9-10H2,1H3,(H,28,34)(H,29,35)
• InChIKey: AVYLSZNKDYGDKW-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 123.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.89
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoro-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-chloro-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 70309880) is 7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoro-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-chloro-4-fluorophenyl)methyl]-3-fluoro-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-chloro-4-fluorophenyl)methyl]-3-fluoro-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)NCc4ccc(F)c(Cl)c4)n4ncc(F)c4n3)cc21.

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

The InChIKey is AVYLSZNKDYGDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF2N6O4/c1-32-18-7-13(3-5-20(18)37-24(32)36)10-28-22(34)17-8-19(33-21(31-17)16(27)11-30-33)23(35)29-9-12-2-4-15(26)14(25)6-12/h2-8,11H,9-10H2,1H3,(H,28,34)(H,29,35).

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

7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoro-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 526.89 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoro-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 70309880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).