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

C14H14N4O — CID 53392102

IUPAC6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(COc2cc3n(n2)CCCC3)nc1
InChIInChI=1S/C14H14N4O/c15-8-11-4-5-12(16-9-11)10-19-14-7-13-3-1-2-6-18(13)17-14/h4-5,7,9H,1-3,6,10H2
InChIKeyVRLYYUCAOLPBEH-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.07
Rot. Bonds3

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

6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile (PubChem CID 53392102) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile
PubChem CID53392102
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(COc2cc3n(n2)CCCC3)nc1
InChIInChI=1S/C14H14N4O/c15-8-11-4-5-12(16-9-11)10-19-14-7-13-3-1-2-6-18(13)17-14/h4-5,7,9H,1-3,6,10H2
InChIKeyVRLYYUCAOLPBEH-UHFFFAOYSA-N
XLogP2.07
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile (CID 53392102) is 6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile is N#Cc1ccc(COc2cc3n(n2)CCCC3)nc1.
What is the InChIKey of 6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile?
The InChIKey is VRLYYUCAOLPBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-8-11-4-5-12(16-9-11)10-19-14-7-13-3-1-2-6-18(13)17-14/h4-5,7,9H,1-3,6,10H2.
What are the key properties of 6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile?
6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 53392102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).