3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline

C20H25N5 — CID 99834709

IUPAC3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline
SMILESCCN1CCN(c2cccc(NCc3cnc4ccccn34)c2)CC1
InChIInChI=1S/C20H25N5/c1-2-23-10-12-24(13-11-23)18-7-5-6-17(14-18)21-15-19-16-22-20-8-3-4-9-25(19)20/h3-9,14,16,21H,2,10-13,15H2,1H3
InChIKeyBXPYXOVPSMNXFT-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.09
Rot. Bonds5

About 3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline

3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline (PubChem CID 99834709) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline
PubChem CID99834709
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline
SMILESCCN1CCN(c2cccc(NCc3cnc4ccccn34)c2)CC1
InChIInChI=1S/C20H25N5/c1-2-23-10-12-24(13-11-23)18-7-5-6-17(14-18)21-15-19-16-22-20-8-3-4-9-25(19)20/h3-9,14,16,21H,2,10-13,15H2,1H3
InChIKeyBXPYXOVPSMNXFT-UHFFFAOYSA-N
XLogP3.09
TPSA35.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline
CID 99834710
3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 99834704
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine
CID 171913926
N-(imidazo[1,2-a]pyridin-3-ylmethyl)butan-2-amine
CID 115587073
N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
CID 91137331
N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 155955616
N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
CID 115587049
N-[(2-methylpyrazol-3-yl)methyl]-3-pyrrolidin-1-ylaniline
CID 54864487
3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 11324351
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 11278841
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 86886111
5-ethyl-3-[3-(imidazo[1,2-a]pyrazin-3-ylmethylamino)phenyl]imidazolidine-2,4-dione
CID 146089996

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline (CID 99834709) is 3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline is CCN1CCN(c2cccc(NCc3cnc4ccccn34)c2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline?
The InChIKey is BXPYXOVPSMNXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-2-23-10-12-24(13-11-23)18-7-5-6-17(14-18)21-15-19-16-22-20-8-3-4-9-25(19)20/h3-9,14,16,21H,2,10-13,15H2,1H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline?
3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline has a molecular weight of 335.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 99834709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).