N-(4-fluorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H19FN4O5 — CID 135652478

About N-(4-fluorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-fluorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135652478) has the molecular formula C25H19FN4O5 and a molecular weight of 474.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 135652478
• Molecular Formula: C25H19FN4O5
• Molecular Weight: 474.45 g/mol
• Exact Mass: 474.13
• IUPAC Name: N-(4-fluorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cc(O)c(C2=Nc3c(C(=O)Nc4ccc(F)cc4)cnn3C(c3ccc(O)cc3)C2)c(=O)o1
• InChI: InChI=1S/C25H19FN4O5/c1-13-10-21(32)22(25(34)35-13)19-11-20(14-2-8-17(31)9-3-14)30-23(29-19)18(12-27-30)24(33)28-16-6-4-15(26)5-7-16/h2-10,12,20,31-32H,11H2,1H3,(H,28,33)
• InChIKey: QRRLCRVNEGCRGW-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 129.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.45
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-(4-fluorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135652478) is N-(4-fluorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-(4-fluorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-(4-fluorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(O)c(C2=Nc3c(C(=O)Nc4ccc(F)cc4)cnn3C(c3ccc(O)cc3)C2)c(=O)o1.

What is the InChIKey of N-(4-fluorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is QRRLCRVNEGCRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O5/c1-13-10-21(32)22(25(34)35-13)19-11-20(14-2-8-17(31)9-3-14)30-23(29-19)18(12-27-30)24(33)28-16-6-4-15(26)5-7-16/h2-10,12,20,31-32H,11H2,1H3,(H,28,33).

What are the key properties of N-(4-fluorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-(4-fluorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 474.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135652478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).