3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

C22H26ClN5O — CID 87051665

IUPAC3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCN1CCN(CCNC(=O)c2nc3ccccn3c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN5O/c1-2-26-13-15-27(16-14-26)12-10-24-22(29)20-21(17-6-8-18(23)9-7-17)28-11-4-3-5-19(28)25-20/h3-9,11H,2,10,12-16H2,1H3,(H,24,29)
InChIKeyLZNSTCXDVAOUJU-UHFFFAOYSA-N
MW411.94 g/mol
LogP3.02
Rot. Bonds6

About 3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 87051665) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID87051665
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC Name3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCN1CCN(CCNC(=O)c2nc3ccccn3c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN5O/c1-2-26-13-15-27(16-14-26)12-10-24-22(29)20-21(17-6-8-18(23)9-7-17)28-11-4-3-5-19(28)25-20/h3-9,11H,2,10,12-16H2,1H3,(H,24,29)
InChIKeyLZNSTCXDVAOUJU-UHFFFAOYSA-N
XLogP3.02
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 87051665) is 3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide is CCN1CCN(CCNC(=O)c2nc3ccccn3c2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is LZNSTCXDVAOUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O/c1-2-26-13-15-27(16-14-26)12-10-24-22(29)20-21(17-6-8-18(23)9-7-17)28-11-4-3-5-19(28)25-20/h3-9,11H,2,10,12-16H2,1H3,(H,24,29).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 411.94 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 87051665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).