6-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]pyridine-3-carbonitrile

C15H14N4O — CID 71813812

IUPAC6-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CC(=O)c2cc3n(n2)CCCC3)nc1
InChIInChI=1S/C15H14N4O/c16-9-11-4-5-12(17-10-11)7-15(20)14-8-13-3-1-2-6-19(13)18-14/h4-5,8,10H,1-3,6-7H2
InChIKeyYCQQYUXBJLMANV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.91
Rot. Bonds3

About 6-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]pyridine-3-carbonitrile

6-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]pyridine-3-carbonitrile (PubChem CID 71813812) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]pyridine-3-carbonitrile
PubChem CID71813812
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name6-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CC(=O)c2cc3n(n2)CCCC3)nc1
InChIInChI=1S/C15H14N4O/c16-9-11-4-5-12(17-10-11)7-15(20)14-8-13-3-1-2-6-19(13)18-14/h4-5,8,10H,1-3,6-7H2
InChIKeyYCQQYUXBJLMANV-UHFFFAOYSA-N
XLogP1.91
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]pyridine-3-carbonitrile (CID 71813812) is 6-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]pyridine-3-carbonitrile is N#Cc1ccc(CC(=O)c2cc3n(n2)CCCC3)nc1.
What is the InChIKey of 6-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]pyridine-3-carbonitrile?
The InChIKey is YCQQYUXBJLMANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-9-11-4-5-12(17-10-11)7-15(20)14-8-13-3-1-2-6-19(13)18-14/h4-5,8,10H,1-3,6-7H2.
What are the key properties of 6-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]pyridine-3-carbonitrile?
6-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]pyridine-3-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]pyridine-3-carbonitrile is sourced from PubChem (CID 71813812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).