5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C18H12N4O — CID 166458088

IUPAC5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2ccc(Cc3cc4ccccc4[nH]c3=O)cc12
InChIInChI=1S/C18H12N4O/c19-10-15-11-20-22-6-5-12(8-17(15)22)7-14-9-13-3-1-2-4-16(13)21-18(14)23/h1-6,8-9,11H,7H2,(H,21,23)
InChIKeyJASAZMDLHRPICX-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.64
Rot. Bonds2

About 5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 166458088) has the molecular formula C18H12N4O and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID166458088
Molecular FormulaC18H12N4O
Molecular Weight300.32 g/mol
Exact Mass300.10
IUPAC Name5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2ccc(Cc3cc4ccccc4[nH]c3=O)cc12
InChIInChI=1S/C18H12N4O/c19-10-15-11-20-22-6-5-12(8-17(15)22)7-14-9-13-3-1-2-4-16(13)21-18(14)23/h1-6,8-9,11H,7H2,(H,21,23)
InChIKeyJASAZMDLHRPICX-UHFFFAOYSA-N
XLogP2.64
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 166458088) is 5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2ccc(Cc3cc4ccccc4[nH]c3=O)cc12.
What is the InChIKey of 5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is JASAZMDLHRPICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O/c19-10-15-11-20-22-6-5-12(8-17(15)22)7-14-9-13-3-1-2-4-16(13)21-18(14)23/h1-6,8-9,11H,7H2,(H,21,23).
What are the key properties of 5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 300.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 166458088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).