5-(1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

C19H12N4O3 — CID 70925424

IUPAC5-(1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
SMILESO=c1[nH]n2c(=O)cc(-c3ccc4occc4c3)[nH]c2c1-c1ccccn1
InChIInChI=1S/C19H12N4O3/c24-16-10-14(11-4-5-15-12(9-11)6-8-26-15)21-18-17(19(25)22-23(16)18)13-3-1-2-7-20-13/h1-10,21H,(H,22,25)
InChIKeyVFJMFBBXUOFTNA-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.79
Rot. Bonds2

About 5-(1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

5-(1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione (PubChem CID 70925424) has the molecular formula C19H12N4O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 5-(1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione.

Molecular Properties

Compound Name5-(1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
PubChem CID70925424
Molecular FormulaC19H12N4O3
Molecular Weight344.33 g/mol
Exact Mass344.09
IUPAC Name5-(1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
SMILESO=c1[nH]n2c(=O)cc(-c3ccc4occc4c3)[nH]c2c1-c1ccccn1
InChIInChI=1S/C19H12N4O3/c24-16-10-14(11-4-5-15-12(9-11)6-8-26-15)21-18-17(19(25)22-23(16)18)13-3-1-2-7-20-13/h1-10,21H,(H,22,25)
InChIKeyVFJMFBBXUOFTNA-UHFFFAOYSA-N
XLogP2.79
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The IUPAC name of 5-(1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione (CID 70925424) is 5-(1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione.
What is the SMILES notation for 5-(1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The canonical SMILES for 5-(1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione is O=c1[nH]n2c(=O)cc(-c3ccc4occc4c3)[nH]c2c1-c1ccccn1.
What is the InChIKey of 5-(1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The InChIKey is VFJMFBBXUOFTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O3/c24-16-10-14(11-4-5-15-12(9-11)6-8-26-15)21-18-17(19(25)22-23(16)18)13-3-1-2-7-20-13/h1-10,21H,(H,22,25).
What are the key properties of 5-(1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
5-(1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione has a molecular weight of 344.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione is sourced from PubChem (CID 70925424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).