2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile

C14H16N4O — CID 133463671

IUPAC2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(O)C1CCN(c2nc3ccccn3c2C#N)C1
InChIInChI=1S/C14H16N4O/c1-10(19)11-5-7-17(9-11)14-12(8-15)18-6-3-2-4-13(18)16-14/h2-4,6,10-11,19H,5,7,9H2,1H3
InChIKeyAAERORLHLVBHCC-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.41
Rot. Bonds2

About 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile

2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 133463671) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID133463671
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(O)C1CCN(c2nc3ccccn3c2C#N)C1
InChIInChI=1S/C14H16N4O/c1-10(19)11-5-7-17(9-11)14-12(8-15)18-6-3-2-4-13(18)16-14/h2-4,6,10-11,19H,5,7,9H2,1H3
InChIKeyAAERORLHLVBHCC-UHFFFAOYSA-N
XLogP1.41
TPSA64.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 133463671) is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile is CC(O)C1CCN(c2nc3ccccn3c2C#N)C1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is AAERORLHLVBHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10(19)11-5-7-17(9-11)14-12(8-15)18-6-3-2-4-13(18)16-14/h2-4,6,10-11,19H,5,7,9H2,1H3.
What are the key properties of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 133463671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).