5-[(2-oxo-4aH-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C18H12N4O — CID 172637283

IUPAC5-[(2-oxo-4aH-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2ccc(CC3=CC4C=CC=CC4=NC3=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/h1-6,8-9,11,13H,7H2
InChIKeyHXTRGIZCSOPBKW-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.40
Rot. Bonds2

About 5-[(2-oxo-4aH-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

5-[(2-oxo-4aH-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 172637283) has the molecular formula C18H12N4O and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-[(2-oxo-4aH-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2-oxo-4aH-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID172637283
Molecular FormulaC18H12N4O
Molecular Weight300.32 g/mol
Exact Mass300.10
IUPAC Name5-[(2-oxo-4aH-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2ccc(CC3=CC4C=CC=CC4=NC3=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/h1-6,8-9,11,13H,7H2
InChIKeyHXTRGIZCSOPBKW-UHFFFAOYSA-N
XLogP2.40
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-4aH-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 5-[(2-oxo-4aH-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 172637283) is 5-[(2-oxo-4aH-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2-oxo-4aH-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(2-oxo-4aH-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2ccc(CC3=CC4C=CC=CC4=NC3=O)cc12.
What is the InChIKey of 5-[(2-oxo-4aH-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is HXTRGIZCSOPBKW-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/h1-6,8-9,11,13H,7H2.
What are the key properties of 5-[(2-oxo-4aH-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
5-[(2-oxo-4aH-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 300.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-4aH-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 172637283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).