6-ethyl-7-oxo-5-(6-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H11N5O2 — CID 155549271

IUPAC6-ethyl-7-oxo-5-(6-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(-c2ccc(=O)[nH]c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C14H11N5O2/c1-2-10-12(8-3-4-11(20)16-6-8)18-13-9(5-15)7-17-19(13)14(10)21/h3-4,6-7,17H,2H2,1H3,(H,16,20)
InChIKeyHWXFUULMVLYRCY-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.81
Rot. Bonds2

About 6-ethyl-7-oxo-5-(6-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-ethyl-7-oxo-5-(6-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 155549271) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 6-ethyl-7-oxo-5-(6-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-7-oxo-5-(6-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID155549271
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name6-ethyl-7-oxo-5-(6-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(-c2ccc(=O)[nH]c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C14H11N5O2/c1-2-10-12(8-3-4-11(20)16-6-8)18-13-9(5-15)7-17-19(13)14(10)21/h3-4,6-7,17H,2H2,1H3,(H,16,20)
InChIKeyHWXFUULMVLYRCY-UHFFFAOYSA-N
XLogP0.81
TPSA106.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-oxo-5-(6-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-ethyl-7-oxo-5-(6-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 155549271) is 6-ethyl-7-oxo-5-(6-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-7-oxo-5-(6-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-ethyl-7-oxo-5-(6-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCc1c(-c2ccc(=O)[nH]c2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 6-ethyl-7-oxo-5-(6-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is HWXFUULMVLYRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c1-2-10-12(8-3-4-11(20)16-6-8)18-13-9(5-15)7-17-19(13)14(10)21/h3-4,6-7,17H,2H2,1H3,(H,16,20).
What are the key properties of 6-ethyl-7-oxo-5-(6-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-ethyl-7-oxo-5-(6-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 281.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-oxo-5-(6-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 155549271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).