4-[hydroxy(imidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carbonitrile

C14H15N3O2 — CID 79126530

IUPAC4-[hydroxy(imidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carbonitrile
SMILESN#CC1(C(O)c2cn3ccccc3n2)CCOCC1
InChIInChI=1S/C14H15N3O2/c15-10-14(4-7-19-8-5-14)13(18)11-9-17-6-2-1-3-12(17)16-11/h1-3,6,9,13,18H,4-5,7-8H2
InChIKeyKQJNRPGUAQIFRD-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.69
Rot. Bonds2

About 4-[hydroxy(imidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carbonitrile

4-[hydroxy(imidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carbonitrile (PubChem CID 79126530) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[hydroxy(imidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carbonitrile.

Molecular Properties

Compound Name4-[hydroxy(imidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carbonitrile
PubChem CID79126530
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-[hydroxy(imidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carbonitrile
SMILESN#CC1(C(O)c2cn3ccccc3n2)CCOCC1
InChIInChI=1S/C14H15N3O2/c15-10-14(4-7-19-8-5-14)13(18)11-9-17-6-2-1-3-12(17)16-11/h1-3,6,9,13,18H,4-5,7-8H2
InChIKeyKQJNRPGUAQIFRD-UHFFFAOYSA-N
XLogP1.69
TPSA70.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(imidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carbonitrile?
The IUPAC name of 4-[hydroxy(imidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carbonitrile (CID 79126530) is 4-[hydroxy(imidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carbonitrile.
What is the SMILES notation for 4-[hydroxy(imidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carbonitrile?
The canonical SMILES for 4-[hydroxy(imidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carbonitrile is N#CC1(C(O)c2cn3ccccc3n2)CCOCC1.
What is the InChIKey of 4-[hydroxy(imidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carbonitrile?
The InChIKey is KQJNRPGUAQIFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-10-14(4-7-19-8-5-14)13(18)11-9-17-6-2-1-3-12(17)16-11/h1-3,6,9,13,18H,4-5,7-8H2.
What are the key properties of 4-[hydroxy(imidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carbonitrile?
4-[hydroxy(imidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carbonitrile has a molecular weight of 257.29 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(imidazo[1,2-a]pyridin-2-yl)methyl]oxane-4-carbonitrile is sourced from PubChem (CID 79126530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).