5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H14N4O2 — CID 70925539

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc3c(c2)CCO3)nc2c(-c3cccnc3)c[nH]n12
InChIInChI=1S/C19H14N4O2/c24-18-9-16(12-3-4-17-13(8-12)5-7-25-17)22-19-15(11-21-23(18)19)14-2-1-6-20-10-14/h1-4,6,8-11,21H,5,7H2
InChIKeyZFZCIEUKPZFRLQ-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.69
Rot. Bonds2

About 5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925539) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925539
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc3c(c2)CCO3)nc2c(-c3cccnc3)c[nH]n12
InChIInChI=1S/C19H14N4O2/c24-18-9-16(12-3-4-17-13(8-12)5-7-25-17)22-19-15(11-21-23(18)19)14-2-1-6-20-10-14/h1-4,6,8-11,21H,5,7H2
InChIKeyZFZCIEUKPZFRLQ-UHFFFAOYSA-N
XLogP2.69
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
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-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925539) is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccc3c(c2)CCO3)nc2c(-c3cccnc3)c[nH]n12.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZFZCIEUKPZFRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-18-9-16(12-3-4-17-13(8-12)5-7-25-17)22-19-15(11-21-23(18)19)14-2-1-6-20-10-14/h1-4,6,8-11,21H,5,7H2.
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 330.35 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 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-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).