6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine

C17H18ClN5 — CID 39148253

IUPAC6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine
SMILESClc1ccc2nc(-c3ccncc3)c(CN3CCNCC3)n2c1
InChIInChI=1S/C17H18ClN5/c18-14-1-2-16-21-17(13-3-5-19-6-4-13)15(23(16)11-14)12-22-9-7-20-8-10-22/h1-6,11,20H,7-10,12H2
InChIKeyBXZXFIGBJBIXDC-UHFFFAOYSA-N
MW327.82 g/mol
LogP2.45
Rot. Bonds3

About 6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine

6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine (PubChem CID 39148253) has the molecular formula C17H18ClN5 and a molecular weight of 327.82 g/mol. Its IUPAC name is 6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine
PubChem CID39148253
Molecular FormulaC17H18ClN5
Molecular Weight327.82 g/mol
Exact Mass327.13
IUPAC Name6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine
SMILESClc1ccc2nc(-c3ccncc3)c(CN3CCNCC3)n2c1
InChIInChI=1S/C17H18ClN5/c18-14-1-2-16-21-17(13-3-5-19-6-4-13)15(23(16)11-14)12-22-9-7-20-8-10-22/h1-6,11,20H,7-10,12H2
InChIKeyBXZXFIGBJBIXDC-UHFFFAOYSA-N
XLogP2.45
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-thiophen-2-ylimidazo[1,2-a]pyridine
CID 90312529
2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine
CID 66554564
2-(6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 39134128
1-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2757434
6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2757048
4-[3-(1,4-diazepan-1-ylmethyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 66555596
1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine
CID 22037680
2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2760437
3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 66555929
3-(1,4-diazepan-1-ylmethyl)-6-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 66556606
6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67028658
4-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-2,6-dimethylmorpholine
CID 3709027

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine (CID 39148253) is 6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine is Clc1ccc2nc(-c3ccncc3)c(CN3CCNCC3)n2c1.
What is the InChIKey of 6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine?
The InChIKey is BXZXFIGBJBIXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5/c18-14-1-2-16-21-17(13-3-5-19-6-4-13)15(23(16)11-14)12-22-9-7-20-8-10-22/h1-6,11,20H,7-10,12H2.
What are the key properties of 6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine?
6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine has a molecular weight of 327.82 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 39148253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).