6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride

C18H21BrClN5 — CID 120910158

IUPAC6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride
SMILESCc1cc(Br)cn2c(CN3CCNCC3c3ccncc3)cnc12.Cl
InChIInChI=1S/C18H20BrN5.ClH/c1-13-8-15(19)11-24-16(9-22-18(13)24)12-23-7-6-21-10-17(23)14-2-4-20-5-3-14;/h2-5,8-9,11,17,21H,6-7,10,12H2,1H3;1H
InChIKeyJTLRMEFFURCKKM-UHFFFAOYSA-N
MW422.76 g/mol
LogP3.37
Rot. Bonds3

About 6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride

6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride (PubChem CID 120910158) has the molecular formula C18H21BrClN5 and a molecular weight of 422.76 g/mol. Its IUPAC name is 6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride.

Molecular Properties

Compound Name6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride
PubChem CID120910158
Molecular FormulaC18H21BrClN5
Molecular Weight422.76 g/mol
Exact Mass421.07
IUPAC Name6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride
SMILESCc1cc(Br)cn2c(CN3CCNCC3c3ccncc3)cnc12.Cl
InChIInChI=1S/C18H20BrN5.ClH/c1-13-8-15(19)11-24-16(9-22-18(13)24)12-23-7-6-21-10-17(23)14-2-4-20-5-3-14;/h2-5,8-9,11,17,21H,6-7,10,12H2,1H3;1H
InChIKeyJTLRMEFFURCKKM-UHFFFAOYSA-N
XLogP3.37
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.76
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride with MolForge

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Related Compounds

6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 120768274
6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 120911878
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955
1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910228
N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride
CID 120910581
5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910696
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910473
1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910651
1-[(5-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910009
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine
CID 120910371

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride?
The IUPAC name of 6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride (CID 120910158) is 6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride.
What is the SMILES notation for 6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride?
The canonical SMILES for 6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride is Cc1cc(Br)cn2c(CN3CCNCC3c3ccncc3)cnc12.Cl.
What is the InChIKey of 6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride?
The InChIKey is JTLRMEFFURCKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5.ClH/c1-13-8-15(19)11-24-16(9-22-18(13)24)12-23-7-6-21-10-17(23)14-2-4-20-5-3-14;/h2-5,8-9,11,17,21H,6-7,10,12H2,1H3;1H.
What are the key properties of 6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride?
6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride has a molecular weight of 422.76 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride is sourced from PubChem (CID 120910158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).