2-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile

C15H19N5O — CID 75453533

IUPAC2-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(CO)N1CCN(c2nc3ccccn3c2C#N)CC1
InChIInChI=1S/C15H19N5O/c1-12(11-21)18-6-8-19(9-7-18)15-13(10-16)20-5-3-2-4-14(20)17-15/h2-5,12,21H,6-9,11H2,1H3
InChIKeyVZIFTYMMRIIAQO-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.71
Rot. Bonds3

About 2-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile

2-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 75453533) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID75453533
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(CO)N1CCN(c2nc3ccccn3c2C#N)CC1
InChIInChI=1S/C15H19N5O/c1-12(11-21)18-6-8-19(9-7-18)15-13(10-16)20-5-3-2-4-14(20)17-15/h2-5,12,21H,6-9,11H2,1H3
InChIKeyVZIFTYMMRIIAQO-UHFFFAOYSA-N
XLogP0.71
TPSA67.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 75453533) is 2-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile is CC(CO)N1CCN(c2nc3ccccn3c2C#N)CC1.
What is the InChIKey of 2-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is VZIFTYMMRIIAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-12(11-21)18-6-8-19(9-7-18)15-13(10-16)20-5-3-2-4-14(20)17-15/h2-5,12,21H,6-9,11H2,1H3.
What are the key properties of 2-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
2-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 285.35 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 75453533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).