7-oxo-6-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C15H13N5O — CID 90454567

IUPAC7-oxo-6-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cccnc2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C15H13N5O/c1-9(2)12-13(10-4-3-5-17-7-10)19-14-11(6-16)8-18-20(14)15(12)21/h3-5,7-9,18H,1-2H3
InChIKeyYVHPKTMKCACVJJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.08
Rot. Bonds2

About 7-oxo-6-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-oxo-6-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454567) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 7-oxo-6-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-oxo-6-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454567
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name7-oxo-6-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cccnc2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C15H13N5O/c1-9(2)12-13(10-4-3-5-17-7-10)19-14-11(6-16)8-18-20(14)15(12)21/h3-5,7-9,18H,1-2H3
InChIKeyYVHPKTMKCACVJJ-UHFFFAOYSA-N
XLogP2.08
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-6-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-oxo-6-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454567) is 7-oxo-6-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-oxo-6-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-oxo-6-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(-c2cccnc2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 7-oxo-6-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is YVHPKTMKCACVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-9(2)12-13(10-4-3-5-17-7-10)19-14-11(6-16)8-18-20(14)15(12)21/h3-5,7-9,18H,1-2H3.
What are the key properties of 7-oxo-6-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-oxo-6-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-6-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).