5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile

C16H15N5OS — CID 137018655

IUPAC5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile
SMILESN#Cc1csc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)c1
InChIInChI=1S/C16H15N5OS/c17-7-10-5-14(23-9-10)12-8-19-21-13(6-15(22)20-16(12)21)11-1-3-18-4-2-11/h5-6,8-9,11,18H,1-4H2,(H,20,22)
InChIKeyQTJGEGYBQOVETK-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.09
Rot. Bonds2

About 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile

5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile (PubChem CID 137018655) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile
PubChem CID137018655
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile
SMILESN#Cc1csc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)c1
InChIInChI=1S/C16H15N5OS/c17-7-10-5-14(23-9-10)12-8-19-21-13(6-15(22)20-16(12)21)11-1-3-18-4-2-11/h5-6,8-9,11,18H,1-4H2,(H,20,22)
InChIKeyQTJGEGYBQOVETK-UHFFFAOYSA-N
XLogP2.09
TPSA85.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile with MolForge

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Related Compounds

US10118930, Example 59
CID 137018249
US10118930, Example 25
CID 137018450
US10118930, Example 66
CID 137018486
US10118930, Example 373
CID 137018669
4-[(4R)-6-oxo-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile
CID 136899824
5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 137026147
3-cyano-5-methyl-N-(2-methylphenyl)-7-(thiophen-2-yl)-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135653501
3-cyano-5-methyl-N-phenyl-7-(thiophen-2-yl)-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135653607
4-Methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454794
3-Thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 136378628
3-(4-phenylthiophen-2-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 136435530
7-hydroxy-3-(4-phenylthiophen-2-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 136435559

Frequently Asked Questions

What is the IUPAC name of 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile?
The IUPAC name of 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile (CID 137018655) is 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile?
The canonical SMILES for 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile is N#Cc1csc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)c1.
What is the InChIKey of 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile?
The InChIKey is QTJGEGYBQOVETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c17-7-10-5-14(23-9-10)12-8-19-21-13(6-15(22)20-16(12)21)11-1-3-18-4-2-11/h5-6,8-9,11,18H,1-4H2,(H,20,22).
What are the key properties of 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile?
5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile has a molecular weight of 325.40 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 137018655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).