5-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonitrile

C18H17N7O — CID 68805158

IUPAC5-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2c[nH]n(-c3cc(N4CCCCC4)ncn3)c2=O)c1
InChIInChI=1S/C18H17N7O/c19-8-13-6-14(10-20-9-13)15-11-23-25(18(15)26)17-7-16(21-12-22-17)24-4-2-1-3-5-24/h6-7,9-12,23H,1-5H2
InChIKeyNQVNDFRNCUPOKR-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.88
Rot. Bonds3

About 5-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonitrile

5-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonitrile (PubChem CID 68805158) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonitrile
PubChem CID68805158
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name5-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2c[nH]n(-c3cc(N4CCCCC4)ncn3)c2=O)c1
InChIInChI=1S/C18H17N7O/c19-8-13-6-14(10-20-9-13)15-11-23-25(18(15)26)17-7-16(21-12-22-17)24-4-2-1-3-5-24/h6-7,9-12,23H,1-5H2
InChIKeyNQVNDFRNCUPOKR-UHFFFAOYSA-N
XLogP1.88
TPSA103.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonitrile (CID 68805158) is 5-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonitrile is N#Cc1cncc(-c2c[nH]n(-c3cc(N4CCCCC4)ncn3)c2=O)c1.
What is the InChIKey of 5-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonitrile?
The InChIKey is NQVNDFRNCUPOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c19-8-13-6-14(10-20-9-13)15-11-23-25(18(15)26)17-7-16(21-12-22-17)24-4-2-1-3-5-24/h6-7,9-12,23H,1-5H2.
What are the key properties of 5-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonitrile?
5-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonitrile has a molecular weight of 347.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 68805158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).