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

C19H14N4O3 — CID 70925353

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
SMILESO=c1[nH]n2c(=O)cc(-c3ccc4c(c3)CCO4)[nH]c2c1-c1cccnc1
InChIInChI=1S/C19H14N4O3/c24-16-9-14(11-3-4-15-12(8-11)5-7-26-15)21-18-17(19(25)22-23(16)18)13-2-1-6-20-10-13/h1-4,6,8-10,21H,5,7H2,(H,22,25)
InChIKeyUJWQWTPQYXVFQK-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.98
Rot. Bonds2

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

5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione (PubChem CID 70925353) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
PubChem CID70925353
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
SMILESO=c1[nH]n2c(=O)cc(-c3ccc4c(c3)CCO4)[nH]c2c1-c1cccnc1
InChIInChI=1S/C19H14N4O3/c24-16-9-14(11-3-4-15-12(8-11)5-7-26-15)21-18-17(19(25)22-23(16)18)13-2-1-6-20-10-13/h1-4,6,8-10,21H,5,7H2,(H,22,25)
InChIKeyUJWQWTPQYXVFQK-UHFFFAOYSA-N
XLogP1.98
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione (CID 70925353) is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione is O=c1[nH]n2c(=O)cc(-c3ccc4c(c3)CCO4)[nH]c2c1-c1cccnc1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The InChIKey is UJWQWTPQYXVFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c24-16-9-14(11-3-4-15-12(8-11)5-7-26-15)21-18-17(19(25)22-23(16)18)13-2-1-6-20-10-13/h1-4,6,8-10,21H,5,7H2,(H,22,25).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione has a molecular weight of 346.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione is sourced from PubChem (CID 70925353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).