2-[4-(2-imidazo[1,2-a]pyridin-2-ylacetyl)piperazin-1-yl]pyridine-4-carbonitrile

C19H18N6O — CID 31843477

IUPAC2-[4-(2-imidazo[1,2-a]pyridin-2-ylacetyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(C(=O)Cc3cn4ccccc4n3)CC2)c1
InChIInChI=1S/C19H18N6O/c20-13-15-4-5-21-18(11-15)23-7-9-24(10-8-23)19(26)12-16-14-25-6-2-1-3-17(25)22-16/h1-6,11,14H,7-10,12H2
InChIKeyHAFYRTNRZLFYSR-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.49
Rot. Bonds3

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

2-[4-(2-imidazo[1,2-a]pyridin-2-ylacetyl)piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 31843477) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[4-(2-imidazo[1,2-a]pyridin-2-ylacetyl)piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-imidazo[1,2-a]pyridin-2-ylacetyl)piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID31843477
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-[4-(2-imidazo[1,2-a]pyridin-2-ylacetyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(C(=O)Cc3cn4ccccc4n3)CC2)c1
InChIInChI=1S/C19H18N6O/c20-13-15-4-5-21-18(11-15)23-7-9-24(10-8-23)19(26)12-16-14-25-6-2-1-3-17(25)22-16/h1-6,11,14H,7-10,12H2
InChIKeyHAFYRTNRZLFYSR-UHFFFAOYSA-N
XLogP1.49
TPSA77.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-imidazo[1,2-a]pyridin-2-ylacetyl)piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(2-imidazo[1,2-a]pyridin-2-ylacetyl)piperazin-1-yl]pyridine-4-carbonitrile (CID 31843477) is 2-[4-(2-imidazo[1,2-a]pyridin-2-ylacetyl)piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-imidazo[1,2-a]pyridin-2-ylacetyl)piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(2-imidazo[1,2-a]pyridin-2-ylacetyl)piperazin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCN(C(=O)Cc3cn4ccccc4n3)CC2)c1.
What is the InChIKey of 2-[4-(2-imidazo[1,2-a]pyridin-2-ylacetyl)piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is HAFYRTNRZLFYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c20-13-15-4-5-21-18(11-15)23-7-9-24(10-8-23)19(26)12-16-14-25-6-2-1-3-17(25)22-16/h1-6,11,14H,7-10,12H2.
What are the key properties of 2-[4-(2-imidazo[1,2-a]pyridin-2-ylacetyl)piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-(2-imidazo[1,2-a]pyridin-2-ylacetyl)piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 346.39 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-imidazo[1,2-a]pyridin-2-ylacetyl)piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 31843477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).