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

C26H19FN10O4 — CID 71172873

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

3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)cuban-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 71172873) has the molecular formula C26H19FN10O4 and a molecular weight of 554.50 g/mol. Its IUPAC name is 3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)cuban-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

• Compound Name: 3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)cuban-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 71172873
• Molecular Formula: C26H19FN10O4
• Molecular Weight: 554.50 g/mol
• Exact Mass: 554.16
• IUPAC Name: 3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)cuban-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCC23C4C5C2C2C3C4C52c2nn[nH]n2)n2ncc(F)c2n1
• InChI: InChI=1S/C26H19FN10O4/c27-9-6-30-37-12(4-11(31-20(9)37)21(38)28-5-8-1-2-13-10(3-8)32-24(40)41-13)22(39)29-7-25-14-17-15(25)19-16(25)18(14)26(17,19)23-33-35-36-34-23/h1-4,6,14-19H,5,7H2,(H,28,38)(H,29,39)(H,32,40)(H,33,34,35,36)
• InChIKey: CESDRNZLHKSKBY-UHFFFAOYSA-N
• XLogP: 0.17
• TPSA: 188.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.50
LogP ≤ 5	0.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)cuban-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 71172873) is 3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)cuban-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

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

The canonical SMILES for 3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)cuban-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCC23C4C5C2C2C3C4C52c2nn[nH]n2)n2ncc(F)c2n1.

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

The InChIKey is CESDRNZLHKSKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN10O4/c27-9-6-30-37-12(4-11(31-20(9)37)21(38)28-5-8-1-2-13-10(3-8)32-24(40)41-13)22(39)29-7-25-14-17-15(25)19-16(25)18(14)26(17,19)23-33-35-36-34-23/h1-4,6,14-19H,5,7H2,(H,28,38)(H,29,39)(H,32,40)(H,33,34,35,36).

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

3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)cuban-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 554.50 g/mol, XLogP of 0.17, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)cuban-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 71172873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).